Talat Rahman

Q: What Schools Are Affiliated With Talat Rahman

Talat Rahman is affiliated with the following schools: University of Central Florida, University of California, Berkeley, University of California, Irvine, University of California, Riverside, Savitribai Phule Pune University, University of Dhaka

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Talat Rahman

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Physics

Talat Rahman's Degrees

PhD Physics University of California, Berkeley
Masters Physics University of California, Berkeley
Bachelors Physics University of Dhaka

Why Is Talat Rahman Influential?

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According to Wikipedia, Talat Shahnaz Rahman is a Pakistani condensed matter physicist whose research topics include surface phenomena and excited media, including catalysis, vibrational dynamics, and magnetic excitations. She has also helped develop molecules that can "walk" across a solid surface by moving one part of the molecule while keeping another part attached to the surface. She is UCF Pegasus Professor of Physics at the University of Central Florida.

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Talat Rahman's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

2‐Dimensional Transition Metal Dichalcogenides with Tunable Direct Band Gaps: MoS2(1–x)Se2x Monolayers (2014) (289)
Complete CO oxidation over Cu2O nanoparticles supported on silica gel. (2006) (254)
Molecular adsorption on graphene (2014) (238)
Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application (2014) (220)
Magnetic excitations in layered media: Spin waves and the light-scattering spectrum (1983) (189)
Surface phonon dispersion of Ni(100) measured by inelastic electron scattering (1983) (165)
The quantum magnetism of individual manganese-12-acetate molecular magnets anchored at surfaces. (2012) (124)
Vibrational Properties of Metallic Nanocrystals (1998) (122)
A surface coordination network based on substrate-derived metal adatoms with local charge excess. (2008) (121)
Controlled argon beam-induced desulfurization of monolayer molybdenum disulfide (2013) (107)
Physisorption of nucleobases on graphene: a comparative van der Waals study (2012) (104)
Postgrowth tuning of the bandgap of single-layer molybdenum disulfide films by sulfur/selenium exchange. (2014) (103)
Self-learning kinetic Monte Carlo method: Application to Cu(111) (2005) (103)
Effect of Ligands on the Geometric and Electronic Structure of Au13 Clusters (2009) (95)
Deep subnanosecond spin torque switching in magnetic tunnel junctions with combined in-plane and perpendicular polarizers (2011) (93)
On the dynamics of the associative desorption of H2 (1988) (92)
Protonated nanoparticle surface governing ligand tethering and cellular targeting. (2009) (89)
Dispersion of Adsorbate Vibrational Modes-the c (2×2) Oxygen Overlayer on Ni(100) (1983) (88)
Theory of depolarization of fluorescence in molecular pairs (1979) (80)
Toward the growth of an aligned single-layer MoS2 film. (2011) (79)
Surface phonons and thec(2×2)oxygen overlayer on Ni(100): Theory and experiment (1984) (76)
Advances in nanomagnetism via X-ray techniques (2006) (75)
Unidirectional adsorbate motion on a high-symmetry surface: "walking" molecules can stay the course. (2005) (73)
Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects. (2012) (72)
Role of Lattice Vibrations in Adatom Diffusion (1997) (66)
A tight-binding model for MoS2 monolayers (2015) (66)
Spin–orbit coupling in the band structure of monolayer WSe2 (2015) (64)
Reactivity of the Cu2O(100) surface: Insights from first principles calculations (2009) (60)
Electron-energy-loss spectroscopy of ordered oxygen overlayers on Ru(001) (1983) (55)
CO-Induced Diffusion of Ni Atoms to the Surface of Ni–Au Clusters on TiO2(110) (2011) (55)
Rationale for the higher reactivity of interfacial sites in methanol decomposition on Au13/TiO2(110). (2013) (52)
Theory of light scattering by the spin-wave excitations of thin ferromagnetic films (1981) (51)
Temperature dependence of island growth shapes during submonolayer deposition of Ag on Ag(111) (2005) (50)
Effect of surface roughness on the image potential (1980) (49)
Thermodynamic properties of Pt nanoparticles: Size, shape, support, and adsorbate effects (2011) (48)
Electron-energy-loss spectroscopy and ordered adsorbate layers on the Ni(100) surface (1982) (48)
Local structural and vibrational properties of stepped surfaces: Cu(211), Cu(511), and Cu(331) (1997) (47)
Selective Oxidation of Ammonia on RuO2(110): a combined DFT and KMC study (2009) (47)
Off-lattice self-learning kinetic Monte Carlo: application to 2D cluster diffusion on the fcc(111) surface (2008) (46)
Theory of Singlet—Triplet Exciton Fusion (1973) (45)
Comparative study of CO adsorption on flat, stepped, and kinked Au surfaces using density functional theory (2008) (45)
Vibrational dynamics and thermodynamics of surfaces and nanostructures (2005) (45)
Electron-Energy-Loss Spectroscopy and Oxygen Overlayers on the Ni(100) Surface (1981) (45)
Diffusion of small two-dimensional Cu Islands on Cu(111) (2005) (44)
Model calculations in the theory of excitation transfer (1974) (43)
Diffusion barriers for Ag and Cu adatoms on the terraces and step edges on Cu(100) and Ag(100): An ab initio study (2009) (43)
A Molecule Carrier (2007) (43)
Adsorption and diffusion of hydrogen on Pd(211) and Pd(111): Results from first-principles electronic structure calculations (2007) (42)
Diffusion processes relevant to homoepitaxial growth on Ag(100) (1998) (41)
First-principles study of some factors controlling the rate of ammonia decomposition on Ni and Pd surfaces. (2005) (41)
Refraction of a surface polariton by an interface (1981) (41)
Tip Induced Motion of Adatoms on Metal Surfaces (1998) (40)
Calculated pre-exponential factors and energetics for adatom hopping on terraces and steps of Cu(1 0 0) and Cu(1 1 0) (2005) (38)
Morphology of ledge patterns during step flow growth of metal surfaces vicinal to fcc (001) (2001) (37)
Dissociative Hydrogen Adsorption on Close-Packed Cobalt Nanoparticle Surfaces (2012) (36)
Epitaxial growth of Ni on Cu(0 0 1) with the assistance of O-surfactant and its magnetism compared to Ni/Cu(0 0 1) (2003) (35)
EELS study of the dynamics of clean Ni(100): Surface phonons and surface resonances (1986) (35)
Heterogeneous Metal-Free Hydrogenation over Defect-Laden Hexagonal Boron Nitride (2016) (34)
Structural and electronic properties of micellar Au nanoparticles: size and ligand effects. (2014) (34)
Band structure characterization of WS2 grown by chemical vapor deposition (2016) (34)
Alkali-induced enhancement of surface electronic polarizibility. (2006) (32)
Surface-plasmon dispersion relation in the presence of surface roughness (1980) (31)
Two-Dimensional Folding of Polypeptides into Molecular Nanostructures at Surfaces. (2017) (30)
Ab initio calculations of multilayer relaxations of stepped Cu surfaces (2001) (29)
Atom-by-atom extraction using the scanning tunneling microscope tip-cluster interaction. (2006) (29)
Parallel kinetic Monte Carlo simulations of Ag(111) island coarsening using a large database (2009) (29)
Tailoring Electronic Structure Through Alloying: The AgnCu34–n (n = 0–34) Nanoparticle Family (2012) (29)
Anharmonic effects on Ag(111): a molecular dynamics study (2000) (28)
Joined edges in MoS2: metallic and half-metallic wires (2013) (28)
Vibrational dynamics and thermodynamics of Ni(977) (1997) (28)
Diffusion of the Cu monomer and dimer on Ag(111): Molecular dynamics simulations and density functional theory calculations (2010) (27)
Toward an Understanding of Ligand Selectivity in Nanocluster Synthesis (2011) (26)
Halogen-substituted thiophenol molecules on Cu(111). (2004) (25)
Occupied and Unoccupied Electronic Structure of Na doped MoS$_2$(0001) (2014) (25)
CO oxidation mechanisms on CoOx-Pt thin films. (2020) (25)
Structural relaxations, vibrational dynamics and thermodynamics of vicinal surfaces (2003) (24)
Nanoscale plasmonic phenomena in CVD-grown MoS(2) monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy. (2016) (24)
Multilayer relaxations and stresses on Mg surfaces (1999) (24)
Surface disordering, roughening and premelting of Ag(110) (1997) (24)
Single layer MoS 2 on the Cu(111) surface: First-principles electronic structure calculations (2012) (24)
Dynamical mean-field theory for molecules and nanostructures. (2011) (23)
Tip-induced adatom extraction and cluster manipulation (2007) (23)
Molybdenum disulfide for ultra-low detection of free radicals: electrochemical response and molecular modeling (2017) (23)
High CO tolerance of Pt/Ru nanocatalyst: insight from first principles calculations. (2008) (23)
Role of long range interaction in oxygen superstructure formation on Cu(001) and Ni(001). (2002) (22)
First principles calculations of the electronic and geometric structure of $Ag_{27}Cu_{7}$ nanoalloy (2008) (22)
Optical generation of collective plasmon modes in small gold chains induced by doping transition-metal impurities. (2012) (22)
High-frequency phonon modes on stepped and kinked Cu surfaces: Experiments and theory (2000) (21)
Visualization of compression and spillover in a coadsorbed system: syngas on cobalt nanoparticles. (2013) (21)
Energetics of CO on stepped and kinked Cu surfaces : A comparative theoretical study (2006) (20)
Structure of Ag(410) and Cu(320) (2003) (20)
Comparative study of anharmonicity: Ni(111), Cu(111), and Ag(111) (2002) (20)
Alkali-induced effects on metal substrates and coadsorbed molecules (2007) (20)
First-principles studies of the thermodynamic properties of bulk Li (1997) (20)
A mechanism for vibrational excitation in associative desorption (1988) (20)
Ab initio studies of stepped Pd surfaces with and without S (2003) (20)
Surface phonon dispersion of ordered overlayers (1986) (20)
An MoS(x) structure with high affinity for adsorbate interaction. (2012) (19)
Local and excess vibrational free energies of stepped metal surfaces (2003) (19)
Methanol Reaction on Pt–Au Clusters on TiO2(110): Methoxy-Induced Diffusion of Pt (2013) (19)
Anharmonic effects at metal surfaces (1993) (19)
Effect of Single-Layer MoS2 on the Geometry, Electronic Structure, and Reactivity of Transition Metal Nanoparticles (2017) (19)
Atomic relaxations and thermodynamics on Cu(410) (1998) (19)
Off-lattice pattern recognition scheme for kinetic Monte Carlo simulations (2011) (19)
Vibrations of Au13 and FeAu12 nanoparticles and the limits of the Debye temperature concept (2012) (18)
Origin of the C-induced p4g reconstruction of Ni(001) (2005) (18)
Ab initio calculations of adsorbate-induced stress on Ni"100… (2004) (18)
Origin of quasi-constant pre-exponential factors for adatom diffusion on Cu and Ag surfaces (2007) (17)
Time-dependent density-matrix functional theory for trion excitations: Application to monolayer MoS2 and other transition-metal dichalcogenides (2014) (17)
Effective elastic properties of a van der Waals molecular monolayer at a metal surface (2010) (17)
Vibrational free energy contribution to self-diffusion on Ni(100), Cu(100) and Ag(100) (1997) (17)
Rotational cooling in associative desorption (1990) (17)
Electronic structure of the c(2x2)O/Cu(001) system (2001) (16)
Time-Dependent Density-Functional Theory and Excitons in Bulk and Two-Dimensional Semiconductors (2017) (16)
Validity of the quasiharmonic analysis for surface thermal expansion of Ag(111). (2001) (16)
Atomistic studies of thin film growth (2004) (16)
Electron-phonon interactions and electron inversion layers on polar semiconductors (1981) (16)
High Catalytic Activity of Pd1/ZnO(101̅0) toward Methanol Partial Oxidation: A DFT+KMC Study (2018) (16)
Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2 (2018) (16)
Spectral densities in surface lattice dynamics at large wave vector (1983) (15)
Structural, vibrational and thermodynamic properties of AgnCu34−n nanoparticles (2008) (15)
Relationship between electronic and geometric structures of the O/Cu(001) system (2002) (15)
Sensitivity of electron-energy-loss spectra to adsorption site: An ordered overlayer on the Ni(111) surface (1983) (15)
Theoretical aspects of vertical and lateral manipulation of atoms (2001) (15)
Growth of aligned Mo6S6 nanowires on Cu(111) (2013) (15)
Redox-active ligand controlled selectivity of vanadium oxidation on Au(100) (2018) (15)
MoS2 Nanoclusters Grown on TiO2: Evidence for New Adsorption Sites at Edges and Sulfur Vacancies (2019) (15)
Diffusion of small Cu islands on the Ni(111) surface: A self-learning kinetic Monte Carlo study (2017) (15)
Adsorbate doping of MoS2 and WSe2: the influence of Na and Co (2017) (15)
Interaction of NO with RuO2(110) surface: A First Principles Study (2007) (15)
Effect of structure on the magnetic anisotropy of L 1 0 FePt nanoparticles (2015) (14)
Ab initio lattice dynamics and electron-phonon coupling of Bi(111) (2014) (14)
Structure and dynamics of an Ag overlayer on Cu(100): a study using the embedded atom method (1993) (14)
Growth and morphology of Ni(111)Re(0001) ultrathin films: an in-situ study using scanning tunneling microscopy (1997) (14)
Optical recognition of atomic steps on surfaces. (2003) (13)
MONOVACANCY DIFFUSION ON AG(100), CU(100), AND NI(100) : PREFACTORS AND ACTIVATION BARRIERS (1999) (13)
Adsorption, diffusion, and vibration of oxygen on Ag (110 ) (2015) (13)
Surface Phonon Dispersion (1984) (13)
Atomic processes in vacancy island motion on Ag(111) (1997) (13)
Design of 11-residue peptides with unusual biophysical properties: induced secondary structure in the absence of water. (2008) (13)
Site selectivity in chemisorption of C on Pd(211) (2004) (13)
Electron-phonon coupling in image-potential bound states (1980) (13)
The crossover from collective motion to periphery diffusion for two-dimensional adatom-islands on Cu(111) (2011) (13)
Nonadiabatic time-dependent spin-density functional theory for strongly correlated systems (2012) (13)
Effect of step-step separation on surface diffusion processes (2006) (13)
Combined Density Functional Theory and Kinetic Monte Carlo Study of Selective Oxidation of NH3 on Rutile RuO2(110) at Ambient Pressures (2014) (12)
H-atom position as pattern-determining factor in arenethiol films. (2009) (12)
Plasmon Excitations in Mixed Metallic Nanoarrays. (2018) (12)
Self-organization of Ge tetramers on Ag(0 0 1) surface: A 2D realization of unusual substrate mediated interactions (2008) (12)
Surface diffusive motion in a periodic and asymmetric potential. (2008) (12)
Surface phonon dispersion of clean and oxygen covered Pt(111) (1986) (12)
Adsorbate induced reconstruction of Ni (100) (1986) (12)
Contributions of vibrational dynamics to the local and excess thermodynamic properties of Cu{sub 3}Au surfaces (2000) (11)
The role of van der Waals interaction in the tilted binding of amine molecules to the Au(111) surface (2012) (11)
Electron thermalization and relaxation in laser-heated nickel by few-femtosecond core-level transient absorption spectroscopy (2020) (11)
Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition. (2021) (11)
Symmetry-resolved surface-derived electronic structure of MoS2(0 0 0 1) (2014) (11)
Anomalously Soft and Stiff Modes of Transition-Metal Nanoparticles (2014) (11)
Extended pattern recognition scheme for self-learning kinetic Monte Carlo simulations (2012) (11)
MoS2-supported gold nanoparticle for CO hydrogenation (2017) (11)
A Single Layer of MoS2 Activates Gold for Room Temperature CO Oxidation on an Inert Silica Substrate (2019) (11)
Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110). (2017) (11)
Comparative study of adatom manipulation on several fcc metal surfaces. (2005) (10)
Effect of c ( 2 × 2 ) -CO overlayer on the phonons of Cu(001): A first-principles study (2008) (10)
Surface Phonon Dispersion of Surface and Adsorbate Layers (1986) (10)
First principles study of the electronic and geometric structure of Cu(5 3 2) (2005) (10)
First-principles calculations of the phonon dispersion curves of H on Pt(111) (2005) (10)
Temperature variation of surface phonon line width: low Miller index surfaces of Ag and Cu (2002) (10)
Geometric and electronic structure and magnetic properties of Fe-Au nanoalloys: insights from ab initio calculations. (2015) (10)
Ultrafast Electron Correlations and Memory Effects at Work: Femtosecond Demagnetization in Ni. (2020) (10)
A DFT + DMFT approach for nanosystems (2010) (10)
CO Adsorption on Pd(111) at 0.5ML: a First Principles Study (2015) (10)
Oxidation states of binary oxides from data analytics of the electronic structure (2018) (10)
THERMAL EXPANSION OF AG(111) (1997) (10)
The role of vibrational entropy in surface diffusion: adatoms and vacancies on Ag(100), Cu(100), and Ni(100) (1999) (9)
Self-Catalyzed, Low-Temperature Atomic Layer Deposition of Ruthenium Metal Using Zero-Valent Ru(DMBD)(CO)3 and Water (2019) (9)
Dipolar surface spin waves in ferromagnetic films (1982) (9)
Self-diffusion of small Ni clusters on the Ni(111) surface: A self-learning kinetic Monte Carlo study (2013) (9)
The g tensor of d holes in palladium (1978) (9)
Linker-induced anomalous emission of organic-molecule conjugated metal-oxide nanoparticles. (2012) (9)
Theoretical studies of the surface phonon linewidth (2002) (9)
Lattice dynamics and the structure of p(2 × 1)ONi(110) (1991) (9)
Effect of dipolar interactions on the magnetization of a cubic array of nanomagnets (2005) (9)
Application of density functional theory to CO tolerance in fuel cells: a brief review (2009) (9)
Segregation of Fischer-Tropsch reactants on cobalt nanoparticle surfaces. (2014) (8)
Metallicity of 2H-MoS2 induced by Au hybridization (2020) (8)
Influence of interfaces on the phonon density of states of nanoscale metallic multilayers: Phonon confinement and localization (2018) (8)
The symmetry-resolved electronic structure of 2H-WSe2(0 0 0 1) (2016) (8)
Mechanically Enhanced Catalytic Reduction of Carbon Dioxide over Defect Hexagonal Boron Nitride (2021) (8)
Effect of misfit dislocation on surface diffusion (2010) (8)
Methoxy Formation Induced Defects on MoS2 (2018) (8)
Characteristics of S adsorption on Pd vicinal surfaces (2003) (7)
Redox Isomeric Surface Structures Are Preferred over Odd-Electron Pt1. (2018) (7)
Anisotropic Properties of Quasi‐1D In4Se3: Mechanical Exfoliation, Electronic Transport, and Polarization‐Dependent Photoresponse (2021) (7)
Electron energy loss spectroscopy of adsorbed atoms (1982) (7)
Ab initio calculations of the dispersion of surface phonons of a c(2 × 2) CO overlayer on Ag(001) (2010) (7)
Self-learning kinetic Monte Carlo simulations of self-diffusion of small Ag islands on the Ag(111) surface (2015) (7)
Theory of light scattering by the spin wave excitations of thin ferromagnetic films (1981) (7)
Effect of monolayer supports on the electronic structure of single-layer MoS2 (2015) (7)
Multi-electron Reduction Capacity and Multiple Binding Pockets in Metal-Organic Redox Assembly at Surfaces. (2019) (7)
pH-Induced Surface Modification of Atomically Precise Silver Nanoclusters: An Approach for Tunable Optical and Electronic Properties. (2016) (7)
Deciphering complex features in STM images of O adatoms on Ag(110) (2018) (7)
The role of lattice vibrations in adatom diffusion at metal stepped surfaces (2005) (7)
Spin-wave renormalization in exchange- and dipolar-coupled ferromagnets: Bulk spin waves and the Damon-Eshbach surface spin wave (1979) (6)
Nonadiabatic exchange-correlation kernel for strongly correlated materials (2014) (6)
Insights from calculated phonon dispersion curves for an overlayer of H on Pt(1 1 1) (2005) (6)
Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity (2022) (6)
Fluctuations of surface steps in equilibrium: a kinetic Monte Carlo study (2004) (6)
Kinetically driven shape changes in early stages of two-dimensional island coarsening: Ag/Ag(111) (2013) (6)
Pentacene Excitons in Strong Electric Fields. (2018) (6)
Surface phonon dispersion of Cu(100)-p(2×2)S (1987) (6)
Ultrafast charge dynamics and photoluminescence in bilayer MoS2 (2019) (6)
Formation of Pt islets on facets of Ru nanoparticles : First-principles study (2008) (6)
Temperature-dependent properties of 147- and 309-atom iron-gold nanoclusters (2011) (6)
Characteristics of Single-Molecule Magnet Dimers ([Mn3]2) on Graphene and h-BN (2020) (5)
Structure and dynamics of an Ag overlayer on Ni(100) : comparison of embedded atom and pair potential results (1992) (5)
Time-dependent density-matrix functional theory for biexcitonic phenomena (2010) (5)
Frontiers of Materials Research: A Decadal Survey (2019) (5)
Computational methodologies for designing materials (2009) (5)
Surface phonon dispersion of Ag(110) (1989) (5)
Ligand-Coordination Effects on the Selective Hydrogenation of Acetylene in Single-site Pd-Ligand Supported Catalysts (2022) (5)
Syngas molecules as probes for defects in 2D hexagonal boron nitride: their adsorption and vibrations. (2020) (5)
Usage of Pattern Recognition Scheme in Kinetic Monte Carlo Simulations: Application to Cluster Diffusion on Cu(111) (2007) (5)
Vibrational Dynamics and Excess Entropy of Multi-grain Nanoparticles (2004) (5)
Island-size selectivity during 2D Ag island coarsening on Ag(111) (2010) (5)
Effects of γ-Al2O3 Support on the Morphology and Electronic Structure of Pt Nanoparticles (2019) (5)
Nature of the binding of a c(2×2)-CO overlayer on Ag(001) and surface mediated intermolecular coupling. (2011) (5)
Surface vibrational thermodynamics from ab initio calculations for fcc(1 0 0) (2010) (5)
Atomic-Scale Structure and Catalysis on Positively Charged Bimetallic Sites for Generation of H2. (2020) (5)
Toward multiscale modeling of thin-film growth processes using SLKMC (2018) (5)
Phonon spectroscopy and surface reconstruction (1986) (5)
A comparative study of the energetics of CO on stepped and kinked Cu surfaces using density functional theory (2005) (4)
An optimized approach for robust spot placement in proton pencil beam scanning (2019) (4)
Transition metal impurity-induced generation of plasmonic collective modes in small gold clusters (2011) (4)
The Rayleigh phonon dispersion curve on Ni(100) in the ΓM (〈100〉) direction (1984) (4)
Cluster Diffusion and Coalescence on Metal Surfaces: applications of a Self-learning Kinetic Monte-Carlo method (2005) (4)
Low frequency surface resonance modes in electron energy loss spectroscopy (1983) (4)
First Principles Study of Adsorption, Diffusion and Dissociation of NH_3 on Ni and Pd Surfaces (2005) (4)
Adsorbate induced changes in surface stress and phonon dispersion curves of chemisorbed systems (2008) (4)
The importance of frontier orbital symmetry in the adsorption of diiodobenzene on MoS2(0001) (2020) (4)
Vibrations at surfaces (2011) (4)
Plasmon excitations in chemically heterogeneous nanoarrays (2020) (4)
Deactivation of Cu2O(100) by CO Poisoning (2013) (4)
Comment on “Magnetization of two-dimensional square arrays of nanomagnets” (2006) (3)
The role of preadsorbed sulphur and oxygen in O2 dissociation on Pd(1 0 0) (2008) (3)
SLKMC-II study of self-diffusion of small Ni clusters on Ni (111) surface (2012) (3)
First-principles study of the lattice dynamics of c(2 × 2)-CO on Cu(001) (2008) (3)
Scattering strength of the scatterer inducing variability in graphene on silicon oxide (2016) (3)
Structure, dynamics and thermodynamics of a metal chiral surface: Cu(532) (2005) (3)
Prefactors for interlayer diffusion on Ag/Ag(111) (2003) (3)
Stress balance in nanopatterned N/Cu(001) surfaces (2011) (3)
Growth of Graphene Nanoflakes/h‐BN Heterostructures (2021) (3)
Diffusion and submonolayer island growth during hyperthermal deposition on Cu(100) and Cu(111) (2005) (3)
Electron correlations and memory effects in ultrafast electron and hole dynamics in VO2 (2020) (3)
Revisiting the surface properties of Mg(0001) thin films and their effect on the adatom binding energy and self-diffusion (2015) (3)
Towards TDDFT for Strongly Correlated Materials (2016) (3)
Catalytic C2H2 synthesis via low temperature CO hydrogenation on defect-rich 2D-MoS2 and 2D-MoS2 decorated with Mo clusters. (2020) (3)
Phonons of Metallic Vicinal Surfaces (2001) (3)
Time-dependent density-matrix functional theory for trion excitations: Application to monolayer MoS_{2} and other transition-metal dichalcogenides (2014) (3)
Methanol carbonylation to acetaldehyde on Au particles supported by single-layer MoS2 grown on silica (2021) (2)
Pt-dipyridyl tetrazine metal-organic network on the Au(100) surface: insights from first principles calculations. (2017) (2)
Dispersed forces from measured shape anisotropy of adatom islands: revelations from an accelerated simulation scheme. (2009) (2)
Vibrational dynamics of a c(2 × 2) phase induced by nitrogen adsorption on Cu(001) (2010) (2)
Supramolecular systems at liquid-solid interfaces: general discussion. (2017) (2)
Analysis of the fluorescence of mechanically processed defect-laden hexagonal boron nitride and the role of oxygen in catalyst deactivation (2019) (2)
A DFT+nonhomogeneous DMFT approach for finite systems (2013) (2)
Selection rules for the inelastic scattering of electrons from surfaces with glide planes (1989) (2)
Van der Waals interactions in advanced materials, in memory of David C Langreth. (2012) (2)
Complementary roles of benzylpiperazine and iodine ‘vapor’ in the strong enhancement of orange photoluminescence from CuI(1 1 1) thin film (2014) (2)
Electronic structure of the c „ 2 Ã 2 ... O Õ Cu „ 001 ... system (2002) (2)
Interaction of NO with RuO 2 ( 110 ) Surface : A First Principles Study (2)
Magnetic anisotropy of FePt nanoparticles (2014) (2)
Dynamics of a Metal Overlayer on Metallic Substrates – High Temperature Effects (1992) (2)
Molecular‐Dynamics Simulation of Surface Phenomena (2012) (2)
Island Size Selectivity and island-shape analysis during 2D Island Coarsening of Ag/Ag (111) Surface (2012) (2)
Nanoscale plasmonic phenomena in CVD-grown MoS2 monolayer revealed by ultra-broadband synchrotron radiation based nano-FTIR spectroscopy and near-field microscopy: publisher's note. (2016) (2)
Surface Thermodynamics and Vibrational Entropy (2020) (2)
Theoretical study of the structure and vibrational dynamics of Cu3Au(511) (2004) (2)
On the role of metal cations in CO2 electrocatalytic reduction (2022) (2)
Cluster energy optimizing genetic algorithm (2013) (1)
Influence of the Moiré Pattern of Ag(111)-Supported Graphitic ZnO on Water Distribution (2022) (1)
Time-dependent density-matrix functional theory for trion excitations: application to monolayer MoS2 (2014) (1)
Vibrational spectrum and stability of the long-debated models for the (√{ 7} ×√{ 7}) R 19 ∘ phase of S/Cu(111) (2014) (1)
MoS2-supported Au31 for CO hydrogenation: A first-principle study (2020) (1)
C and S induce changes in the electronic and geometric structure of Pd(533) and Pd(320) (2005) (1)
On stabilizing spin crossover molecule [Fe(tBu2qsal)2] on suitable supports: insights from ab initio studies (2021) (1)
Supramolecular effects in self-assembled monolayers: general discussion. (2017) (1)
VIBRATIONAL MODES AND RELATIVE STABILITY OF STEPPED SURFACES OF COPPER (1997) (1)
Tailoring the Redox Capabilities of Organic Ligands for Metal-Ligand Coordination with Vanadium Single-Sites (2021) (1)
Modeling of morphological evolution on Cu(111) surface: application of Self-Teaching KMC-MD method (2005) (1)
A closer look at how symmetry constraints and the spin-orbit coupling shape the electronic structure of Bi(111) (2020) (1)
Ligand-spacer controlled size selectivity of gold clusters (2008) (1)
Effect of hydrogen adsorption on the structure of the basal plane of MoS$_2$ (2017) (1)
Kürpick et al. Reply (1998) (1)
First-principles calculations of the dispersion of surface phonons on unreconstructed and reconstructed Pt(110) (2005) (1)
Anisotropy-exchange resonance as a mechanism for entangled state switching (2021) (1)
Strength of the dominant scatterer in graphene on silicon oxide (2015) (1)
Erratum: Local structural and vibrational properties of stepped surfaces: Cu(211), Cu(511), and Cu(331) [Phys. Rev. B 55, 13 894 (1997)] (2001) (1)
Diffusion Processes and Pre-Exponential Factors in Homo-Epitaxial Growth on Ag(100) (1997) (1)
Nonmetal-to-Metal Transition of Magnesia Supported Au Clusters Affects the Ultrafast Dissociation Dynamics of Adsorbed CH3Br Molecules. (2022) (1)
On the validity of the Arrhenius picture in two-dimensional submonolayer growth (2019) (1)
Prediction of activation energy barrier of island diffusion processes using data-driven approaches (2019) (1)
Effect of ligand on the geometric and electronic structure of Au$_{13}$ cluster (2008) (1)
Electronic control and switching of entangled spin state using anisotropy and exchange in the three-particle paradigm (2021) (1)
First-principles calculations of the magnetism of Fe$_2$O$_2$H$_2$ (2005) (1)
Modeling carrier mobility in graphene as a sensitive probe of molecular magnets (2021) (1)
Molecular transistors as substitutes for quantum information applications (2022) (1)
Growth of aligned Mo$_6$S$_6$ nanowires on a Cu(111) (2013) (1)
Adsorption, vibration and diffusion of oxygen on Ag(110) (2015) (1)
Toward alcohol synthesis from CO hydrogenation on Cu(111)-supported MoS2 - predictions from DFT+KMC. (2021) (1)
Friedel oscillations responsible for stacking fault of adatoms: The case of Mg ( 0001 ) and Be ( 0001 ) (2014) (1)
Theoretical study of the structure and vibrational dynamics of Cu3Au(511) : Surface dynamics, phonons, adsorbate vibrations and diffusion (2004) (1)
Ab initio study of Mg self-diffusion on Mg(0001) terraces and steps (2011) (0)
Calculation of the phonon frequencies of in an anharmonic model (2017) (0)
Absorption spectrum and ultrafast response of monolayer and bilayer transition-metal dichalcogenides (2015) (0)
Comparative study of CO adsorption on nanostructured Cu and Au surfaces (2005) (0)
Diffusion of Small 2D-Cu Clusters on Cu (111) (2004) (0)
Erratum: Thermal expansion of Ag(111) (2001) (0)
Scanning tunneling microscopy and spectroscopy of NiTe2 (2022) (0)
Spectral and magnetic properties of hematite Fe2O3(001) surface: results from DFT+DMFT (2015) (0)
TDDFT+DMFT analysis of excitations and relaxation dynamics in alpha-Ce (2015) (0)
Surface Science Letters Fluctuations of surface steps in equilibrium: a kinetic Monte Carlo study (2004) (0)
Defect engineering of oxide surfaces: dream or reality? (2022) (0)
Vibrational spectroscopy and ab initio dynamics of the O-induced added-row reconstructed Cu(110) surface. (2008) (0)
Insights from surface stress calculations on the structure of c(2$\times $2)-N overlayer on Cu(001) (2008) (0)
Predicting h- BCN Geometric Structures Using Clustering and Regression Methods (2020) (0)
Atomic and molecular functionalisation of technological materials: an introduction to nanoscale processes on semiconductor surfaces (2022) (0)
Defect formation on MoS$_{\mathrm{2}}$ via methanol to methoxy conversion (2017) (0)
High Catalytic Activity of Singly Distributed Pd 1 /ZnO(10-10) toward Methanol Partial Oxidation: A DFT based Accelerated Kinetic Monte Carlo Study (2018) (0)
Optical Properties of Defect-Laden Single-Layer Hexagonal Boron Nitride (2019) (0)
Electron-phonon interaction, excitations and ultrafast photoemission from doped monolayer MoS2 (2015) (0)
Structural and Vibrational Properties of Cu_3Au Surfaces (1998) (0)
Crossover from concerted motion to periphery diffusion for Cu clusters on Cu(111): Application of Fine Grid On-Lattice SLKMC (2011) (0)
Electronic structure and optical properties of Ag 44 (MNBA) 2 nanoclusters: An ab initio study (2017) (0)
Ab-initio Study of the Erlich-Schoewebel Barriers for fcc(100) (2009) (0)
Moir\'e pattern of a single layer MoS$_2$ grown on Cu(111) (2012) (0)
The importance of the dipolar interaction strength in magnetization hysteresis curves of two-dimensional nanomagnet arrays (2007) (0)
First Principles Study of the Effect of Lattice Strain on Diffusion Barriers (2009) (0)
Effects of hydroxylated $\gamma $-Al$_{2}$O$_{3}$ support and H adsorbate on the Geometry and Electronic Structure of Pt Nanoparticles (2015) (0)
Vibrational Dynamics and Thermodynamics Properties of Cu_3Au(100) (1997) (0)
Self-Teaching Kinetic Monte-Carlo Scheme For Small Cluster Diffusion on Cu(111) (2005) (0)
spectra, indicating that excitons are bound at the ad-atom sites. Our results will be discussed in light of recent density functional theory calculations. (2013) (0)
Time-dependent density-matrix functional theory formalism to study biexcitonic phenomena in bulk systems and nanostructures (2010) (0)
Evidence of symmetry breaking in a Gd2 di-nuclear molecular polymer. (2023) (0)
Vibrational Dynamics and Thermodynamics of AgCu nanoparticles (2006) (0)
Ground and excited states of iron-phthalocyanine: a DFT+DMFT analysis (2019) (0)
Dark-exciton energy splitting in monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi mathvariant="normal">W</mml:mi><mml:msub><mml:mi>Se</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math> : Insights from time-dependent density functional theory (2023) (0)
DOE-EPSCoR Award. Final Report (2004) (0)
The crossover from collective motion to periphery diffusion for small adatom-islands on Cu(111) and Ag(111) (2006) (0)
Bilayer islands in heteroepitaxy of transition metals: insights from first principles (2011) (0)
Magnetic Properties of Transition Metal Nanoparticles: A DFT-Inhomogeneous-DMFT Analysis (2012) (0)
CO 2 conversion on defect-induced single-layer h -BN (2020) (0)
Mg(0001): Electronic structure features controlling the limit of and reactivity in the thin-film regime, stacking fault of Mg adislands and adatom self-diffusion (2014) (0)
Short range steering effect in off-normal incidence epitaxial growth on dense steps on Cu(001): a molecular dynamics study (2005) (0)
First principles study of absorption of Hydrogen into Pd(111) (2005) (0)
Decay of Mounds on Cu(111) and Ag(111) (2001) (0)
Effect of interfaces on electron transport properties of MoS2--Au Contacts (2014) (0)
A DFT Study of Single-Molecule Magnets (Mn 3 Dimers) (2020) (0)
Magnetic properties of small iron clusters: Nanoscale Dynamical Mean-Field Theory analysis (2010) (0)
Submitted for the MAR 10 Meeting of The American Physical Society Island Size Selectivity during 2 D coarsening of Ag / Ag ( 111 ) Surface 1 (2012) (0)
Effect of single-layer MoS$_{\mathrm{2}}$ support on the geometry and electronic structure of transition metal nanoparticles (2017) (0)
Effects of co-adsorbed C and K on energetics of CO oxidation on Pd(111) (2006) (0)
The effect of hetero-structure material MoS$_{2}$-TiO$_{2}$(110) on CO and NO adsorption: insights from \textit{ab-initio} calculations (2014) (0)
Evolution of Nanoscale Film Morphology (NSF Nanoscale Modeling and Simulation Grant EEC-0083604) (2001) (0)
A theoretical study of adsorption of NO on RuO$_2$(110) (2005) (0)
MoS$_2$ grain-boundary: First-principles investigations (2013) (0)
Thickness dependence of superconductivity in FeSe films (2023) (0)
FEAST real-time propagation scheme for TDDFT with study of CNT’s plasmonic effects (2013) (0)
Non-adiabatic exchange-correlation kernel for the non-equilibrium response of three-dimensional Hubbard model (2015) (0)
Atomic Processes responsible for the diffusion of 2D Cu islands on Ag(111): results from self learning KMC (2008) (0)
Effect of substrate on characteristics of the Mn 3 dimer (2020) (0)
Paths, Barriers, and Prefactors for Adatom Descent from Ag Clusters on Ag(111) (2001) (0)
Excitonic properties of hydrogenated single-layer MoS$_{\mathrm{\mathbf{2}}}$ (2017) (0)
Spin-orbit coupling in the band structure WSe$_{2}$ monolayers (2015) (0)
Effect of terrace width on site selectivity of C and S adsorption on stepped Pd surfaces (2005) (0)
Generalized nanoquanta exchange-correlation kernel and nonhydrogenic Rydberg series of excitonic binding energies in monolayer WS 2 (2020) (0)
Ab-initio study of gold nanoparticles supported on defect-laden single-layer MoS2 (2016) (0)
Ab initio Calculation of Surface Phonons on Ni(100) and c(2x2)O/Ni(100) (2002) (0)
Optical properties of the Folic Acid/APTMS/TiO$_{2}$ nanosystems (2009) (0)
A robust artificial neural network potential for Si(001) (2018) (0)
Fermi surfaces of the topological semimetal CaSn3 probed through de Haas van Alphen oscillations (2021) (0)
Determination of dominant scatterer in Graphene on SiO$_2$ using atomic hydrogen (2013) (0)
A DFT study of geometric, electronic, and magnetic properties of Fe$_{\mathrm{x}}$Au$_{\mathrm{113-X}}$ (x$=$23, 56, 90) core-shell nanoparticles (2014) (0)
Electronic Structure of (2√2×√2)R45^circO/Cu(001) (2002) (0)
Abstract Submitted for the MAR12 Meeting of The American Physical Society Sorting Category: 09.2 (C) Self-Diffusion of small Ag and Ni islands on Ag(111) and Ni(111) using the self-learning kinetic Monte Carlo method1 SYED ISLAMUDDIN SHAH, GIRIDHAR NANDIPATI, AB- (2012) (0)
THE LANDÉ g-TENSOR FOR d-HOLES IN Pd (1978) (0)
Optical properties of Benzylpiperazine/CuI (111) system (2012) (0)
Effect of Dipolar Interactions on the Magnetization of Single-Molecule Magnets in a cubic lattice (2005) (0)
Ultrafast electron dynamics in MnO: a non-adiabatic TDDFT+DMFT study (2017) (0)
Multi-orbital time-dependent spin-density functional theory for strongly correlation systems: Application to Ce and YTiO$_{3}$ (2014) (0)
Abstract Submitted for the MAR13 Meeting of The American Physical Society Tunable optical excitations in transition-metal doped arrays of noble-metal chains1 NEHA NAYYAR, VOLODYMYR TURKOWSKI, TALAT (2013) (0)
, Tapio Title : Diffusion of small two-dimensional Cu islands on Cu ( 111 ) studied with a kinetic Monte Carlo method Year : 2006 Version : Final (2015) (0)
Effect of tensile misfit dislocation on diffusion of Ni adatom on Ni/Cu(111): a Molecular Dynamics study (2012) (0)
Electronic correlation and quantum memory effects in the ultrafast laser induced charge and spin dynamics in bulk Ni (2018) (0)
Electronic properties of functionalized MoS$_{2}$ (2014) (0)
Tuning plasmon excitations in pure and transition metal-doped arrays of noble metal nanochains (2014) (0)
Metal-Organic Chains with Single-Site Pt(II): Insights from first principles simulations (2015) (0)
Mechanical Properties of a vdW molecular monolayer at a metal surface: Structural Polymorphism leading to facile compression (2011) (0)
Self Diffusion on Flat and Stepped Ag(100) and Cu(100): a molecular dynamics study. (2000) (0)
Electron-electron correlations and magnetic properties of small FePt clusters (2011) (0)
Stability of MoS$_{\mathrm{2(1-x)}}$Se$_{\mathrm{2x}}$ alloy: insight from first-principles calculations (2014) (0)
Effects of $\gamma $-Al$_{\mathrm{\mathbf{2}}}$O$_{\mathrm{\mathbf{3}}}$ Support on the Morphology and Electronic Structure of Pt Nanoparticles (2015) (0)
Phonons of Metallic Nanocrystallines (1998) (0)
Erratum: Vibrational Properties of Metallic Nanocrystals [Phys. Rev. Lett. 81, 1453 (1998)] (2001) (0)
Photoluminescence from hydrogenated graphene (2011) (0)
Effect of monolayer substrates on the electronic structure of single-layer MoS$_{2}$ (2014) (0)
Electronic and Optical Properties of Benzylpiperazine/CuI(111) System (2012) (0)
Erratum: Vibrational Properties of Metallic Nanocrystals (2001) (0)
Self-learning kinetic Monte Carlo Simulations of Self-diffusion of small Ag clusters on Ag (111) surface (2018) (0)
Metallization of the Si(001) surface: An atomistic study using a neural network potential (2019) (0)
Probing properties of molecule-based interface systems: general discussion and Discussion of the Concluding Remarks. (2017) (0)
Rationale for the carbon-induced surface reconstruction of Ni(100) (2003) (0)
Role of vacancies in CO oxidation by CoOx-Pt catalysts: A spectroscopic, structural, and theoretical approach (2020) (0)
Graduate Program Assessment (2017) (0)
Theoretical Comparative Study of the Structure, Dynamics and Electronic Properties of Five Ally Molecules: Allicin, Methyl Propyl Disulfide (MPD), Allyl Methyl Sulfide (AMS), S-allyl cysteine (SAC) and S-allyl mercaptocysteine (SAMC) (2006) (0)
Rationale for the high reactivity of the interfacial sites in methanol reaction on Au/TiO2(110) (2013) (0)
Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT + DMFT versus Non-equilibrium DMFT Solution (2016) (0)
Comparison of methods for inclusion of van der Waals interactions: the case of physisorption of nucleobases on graphene (2011) (0)
Publisher's Note: Effective elastic properties of a van der Waals molecular monolayer at a metal surface [Phys. Rev. B 82, 201410 (2010)] (2010) (0)
Electron-Phonon Coupling and Photoluminescence in monolayer MoS$_{2}$ (2014) (0)
Formation of Pt nano-islands on Ru(0001) surface: insights from ab initio calculations . (2007) (0)
Excitonic properties of hydrogenated single-layer MoS 2 (2017) (0)
Electronic Structure of Defect-Single-Layer MoS2 (2013) (0)
First principles calculations of the vibrational dynamics of c(2x2)-CO on Ag(001). (2008) (0)
Abstract Submitted for the MAR17 Meeting of The American Physical Society Role of defects in the adsorption of small molecules on single-layer hexagonal boron nitride1 (2017) (0)
Tunable optical excitations in transition-metal doped arrays of noble-metal chains (2013) (0)
Abstract Submitted for the MAR12 Meeting of The American Physical Society Analyzing electron-electron correlations at nanoscale: a DFT+DMFT code for nanosystems1 VOLODYMYR TURKOWSKI, ALAMGIR KABIR, (2012) (0)
Symmetry and novelty in the electronic and geometric structure of nanoalloys:. the case of Ag 27 Cu 7 (2008) (0)
Factors controlling thermodynamic properties at the nanoscale: Ab initio study of Pt nanoparticles (2012) (0)
Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material (2022) (0)
Calculation of Helmholtz activation free energy from molecular dynamics simulations: adatom diffusion on (100) and (111) surfaces of Cu and Ag (2002) (0)
First-principles calculations of vibrational modes of H on Pt(111) (2003) (0)
Vibrational spectrum and stability of the long-debated models for the ($\sqrt{7} \times \sqrt{7}$)$R19\circ $ phase of S/Cu(111) (2014) (0)
First principles studies of CO adsorption and oxidation on the Cu$_{2}$O(100) surface (2006) (0)
First principles simulations of nano-peptides on copper surfaces (2016) (0)
Electronic Structure of Cu(001) with c(2x2)O overlayer (2001) (0)
Magnetocrystalline anisotropy of L10 FePt nanoparticles (2014) (0)
Electron-phonon interaction and ultrafast photoemission from doped monolayer MoS2. (2022) (0)
Tailoring the Electronic Structure by Alloying: Ag$_{n}$Cu$_{34-n}$ Nanoparticle Family (2010) (0)
Insights on the electronic and vibrational properties of Bi(111) from first principles (2012) (0)
Self-Learning Off-Lattice Kinetic Monte Carlo method as applied to growth on metal surfaces (2007) (0)
Comparison of Features for Au and Ir Adsorbed on the Ge (110) Surface (2019) (0)
TDDFT+DMFT study of the nonequilibrium response in monoclinic VO2 (2015) (0)
\textbf{The impact of functional group on the electronic structure of coordination center} (2016) (0)
\textbf{Ultrafast Response of the Hubbard Model: Non-adiabatic TDDFT}$+$\textbf{DMFT versus Non-equilibrium DMFT Solution} (2016) (0)
First-principles study of the origin of alkali promotion of reactivity of metal surfaces (2004) (0)
The effect of support on the characteristics of Pt Nanoparticles (2013) (0)
\textbf{Predictive Modeling of Metal-Organic Chains with Active Metal Site } (2016) (0)
Structure and Energetics of Cu Vicinal Surfaces: Role of Next Nearest Neighbors (2003) (0)
Insights on the anomalously soft and stiff modes of metal nanoparticles (2011) (0)
Unidirectional Linear Diffusion on an Isotropic Cu(111) Surface in a Periodic and Asymmetric Potential (2009) (0)
Vertical and Lateral Manipulation of Adatom on Surfaces (2001) (0)
Abstract Submitted for the MAR17 Meeting of The American Physical Society Excitonic properties of hydrogenated single-layer MoS2 (2017) (0)
Kinetics of adsorption and photodesorption of hydrogen on copper surfaces (1997) (0)
Anharmonic Effects in Copper: Decay Rates of Surface and Bulk Phonons (2001) (0)
TDDFT studies of plasmonic excitations in small transition metal-doped gold chains (2011) (0)
Diffusion of small Ni and Cu clusters on Ni (111): Application of SLKMC-II* (2013) (0)
Molecular Dynamics Simulations of a Single 11-Residue Beta-Sheet Adhesive and its Assembly (2009) (0)
First-principles calculations of the magnetic interactions in Fe dimers (2005) (0)
On mechanism of influence of alkali adsorbates on the interaction of co-adsorbed molecules with metal surface (2005) (0)
Abstract Submitted for the MAR07 Meeting of The American Physical Society Adatom Diffusion on Ag(100) and Cu (100) Surface with Steps: insights from ab initio electronic structure calculations1 HAN- (2012) (0)
Manipulation/Extraction of an Adatom from a Mound (2006) (0)
Dark exciton energy splitting in monolayer WSe2: insights from time-dependent density-functional theory (2023) (0)
Self-teaching kinetic Monte-Carlo simulation with EAM energetics: application to metal surfaces (2003) (0)
Contribution of Vibrational Dynamics to Adatom Diffusion on Metal Surfaces (2005) (0)
First principles studies of CO adsorption and diffusion over Pt nano-islands on Ru(0001) surface (2007) (0)
Vibrational spectroscopy and \textit{ab initio} dynamics of the O-induced \textit{added-row} reconstructed Cu(110) surface. (2008) (0)
Effect of MoS 2 thickness on properties of adsorbed Au nanoparticles (2019) (0)
\textbf{Diffusion kinetics of small islands of Ni on Cu (111) and Cu on Ni (111) using the self-learning kinetic Monte Carlo (II) simulations and rationale for variation based on first-principles calculation} (2015) (0)
Teacher Recruitment and UCF's LA Program (2016) (0)
Ultrafast charge dynamics in bulk alpha-Fe 2 O 3 (2020) (0)
Geometric models and electronic structure of Pb overlayers on Ge(111): a first-principles study (2020) (0)
Abstract Submitted for the MAR17 Meeting of The American Physical Society A non-adiabatic exchange-correlation potential for strongly- correlated materials: local impurity approximation and beyond1 (2017) (0)
STM/STS of Few-Layer Topological Semimetal NiTe 2 at 78 K (2020) (0)
S 1 Supplementary Information for Heterogeneous Metal-Free Hydrogenation Over Defect Laden Hexagonal Boron Nitride (2016) (0)
Spatially non-homogeneous metallization of VO2: a TDDFT+DMFT analysis (2020) (0)
Comparative study of anharmonicity: NiÑ111Ö ,C uÑ111Ö, and AgÑ111Ö (2002) (0)
Electronic structure of cobalt valence tautomeric molecules in different environments. (2023) (0)
Diffusion of small Cu islands on the Ni(111) surface: Results of the self learning kinetic Monte Carlo(II) simulations (2014) (0)
Rationale for contrasting phonon confinement and interface localization effect in FeAg and FeCr multilayers (2016) (0)
Analyzing electron-electron correlations at nanoscale: a DFT+DMFT code for nanosystems (2012) (0)
Surface Lattice Dynamics of Ordered Overlayers on Metals (1985) (0)
Effect of dipolar interactions on the magnetization of cubic single molecule magnetis (2005) (0)
7pAH-6 Symmetry-Resolved Surface-Derived Electronic Structure of MoS_2 (2014) (0)
Sub-monolayer structures of Ag overlayers on Ge(111): experimental observations and first-principles study (2019) (0)
Nonlinear ultrafast optical response in organic molecular (2011) (0)
Alcohol Synthesis on MoS 2 -supported Gold Nanoparticle (2020) (0)
Nonlinear ultrafast optical response in organic molecular crystals (2012) (0)
Diffusion Prefactors and Vibrational Entropic Contributions for small Cu and Ag clusters on Cu(111) and Ag(111) (2008) (0)
Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network (2023) (0)
\textit{Ab initio} calculations of pre-exponential factors for the diffusion of CO on Ag(001): importance of the full phonon dispersion. (2010) (0)
Kinetic Monte Carlo simulations of Ag(111) island coarsening (2007) (0)
Cultivating Relationships with Schools of Education (2017) (0)
First principles study of ammonia decomposition on Ni and Pd surfaces (2005) (0)
Self-Diffusion of small Ag and Ni islands on Ag(111) and Ni(111) using the self-learning kinetic Monte Carlo method (2012) (0)
Abstract Submitted for the MAR11 Meeting of The American Physical Society Photoluminescence from hydrogenated graphene1 VOLODYMYR TURKOWSKI, (2012) (0)
Electronic structure and optical properties of Ag$_{\mathrm{\mathbf{44}}}${(MNBA)}$_{\mathrm{\mathbf{2}}}${ nanoclusters: An }{{ab initio}}{ study } (2017) (0)
Two-dimensional overlayers of Au and Ag on the Ge(111) surface: insights from first-principles calculations (2020) (0)
Femtosecond laser pulse-induced breakdown of the insulating phase in bulk V2O3: a TDDFT+DMFT study (2018) (0)
Abstract Submitted for the MAR11 Meeting of The American Physical Society Bilayer islands in heteroepitaxy of transition metals: insights from first principles1 (2012) (0)
First-principle Investigation of the Stability and Vibrational Spectrum of MoSx Nanostructures Grown on Cu(111) (2013) (0)
First-principles study of single-layer MoS2-based catalysts for alcohol synthesis from syngas (2017) (0)
Magnetic properties of Fe nanoparticles: application of the DFT-Inhomogeneous-DMFT approach (2012) (0)
The Self Learning Kinetic Monte Carlo (SLKMC) method augmented with data analytics for adatom-island diffusion on surfaces (2020) (0)
Surface thermodynamic properties of vicinal surfaces of fcc crystals (1997) (0)
Simulations of the pore structures for a M2G1yR derived channel forming peptide in membrane (2008) (0)
Site Selectivity in Relaxations and S Chemisorption on stepped Pd surfaces: ab initio studies (2003) (0)
Enhanced Vibrational Entropy contribution on Cu_3Au vicinal surfaces (2004) (0)
Development of artificial neural network potential for hexagonal boron nitride with and without defects (2019) (0)
Tempo-spatially resolved dynamics of elec- trons and holes in bilayer MoS2-WS2 (2016) (0)
First principles studies of the geometric and electronic structure of nanoalloy Ag$_{27}$Cu$_{7}$. (2007) (0)
Long Wavelength Bulk and Surface Spin Waves in Metallic Superlattices (1985) (0)
Metallic bubbles nucleation and growth in VO2 nanofilms: insights from TDDFT+DMFT (2016) (0)
Controlling Structural, Electronic, and Energy Flow Dynamics of Catalytic Processes through Tailored Nanostructures (2021) (0)
Thermodynamic properties of non-trivial topological semimetal CaSn 3 (2020) (0)
A non-adiabatic exchange-correlation potential for strongly-correlated materials: local impurity approximation and beyond (2017) (0)
Physisorption of three amine terminated molecules (TMBDA, BDA, TFBDA) on the Au(111) Surface: The Role of van der Waals Interaction (2012) (0)
Diffusion of two-dimensional Cu islets on Ag(111) studied with the Molecular Dynamics Method (2009) (0)
Thickness dependence of band structure of FeSe (2020) (0)
Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits (2022) (0)
Adatom Diffusion on Ag(100) and Cu (100) Surface with Steps: insights from \textit{ab initio} electronic structure calculations (2007) (0)
The Influence of Lattice Vibrations on Surface Self Diffusion (1997) (0)
Giant increase in isoelectronic reactivity index of Pd and Cu surfaces on alkali metal adsorption (2004) (0)
Off-lattice self-learning kinetic Monte Carlo: application to 3D island decay on fcc(100) surface (2011) (0)
Relative Stability of Metal Vicinal Surfaces (1996) (0)
The effect of shape, spin, and grain boundary on the vibrational properties of iron nanoparticles (2013) (0)
Ab initio vibrational dynamics applied to analyze the CO-metal (Cu,Ag) coupling (2010) (0)
Epitaxial angle of MoS 2 grown on h -BN: A first principle and machine learning study (2018) (0)
Toward multiscale modeling of thin-film growth processes using SLKMC – ERRATUM (2018) (0)
Abstract Submitted for the MAR06 Meeting of The American Physical Society (2005) (0)
Adsorption of Fluorine on single layer MoS$_2$: a first principles study (2015) (0)
Effect of a Fe substitutional impurity on the geometric and electronic structure of Au$_{13}$ cluster (2009) (0)
Calculation of vibrational properties of selenium (2017) (0)
Tailoring properties of single layer transition metal dichalcogenides: looking beyond graphene (2016) (0)
Towards Higher Alcohol Formation using a single-layer MoS2 activated Au on Silica: Methanol Carbonylation to Acetaldehyde (2019) (0)
Simulations of the Pore Structures for a M2GlyR Derived Channel Forming Peptide in Different Membrane Environments (2007) (0)
Vibrational Free Energy Contributions to Surface Diffusion (1997) (0)
O$_{2}$ Dissociative Adsorption on Cu$_{2}$O(100) with O Vacancies (2008) (0)
Time-Dependent Spin-Density Functional Theory for strongly correlated systems (2013) (0)
Strain-Induced Modification on Diffusion Barriers: An Ab-initio Study (2010) (0)
Vibrational Contribution to the Thermal Expansion of Ag(111) and Cu(111) (1997) (0)
Excited states in hydrogenated single-layer MoS2 (2020) (0)
Magnetic properties of Fe and Fe-Pt nanoparticles: application of nano-DFT$+$DMFT (2013) (0)
Effect of Uniaxial Strain on Band Structure of Multi-layer WS$_{\mathrm{2}}$* (2016) (0)
Atom-by-atom extraction by controlling a scanning tunneling microscope tip- cluster interaction (2005) (0)
\textit{Ab initio} vibrational dynamics of Ag$_{27}$Cu$_{7}$ nanoalloy. (2009) (0)
Exciton and trions binding energies in single-layer MoS$_2$: applications of the density-matrix time dependent density (2013) (0)
Overlayer Formation and Miscibility of Sn on Pt(111) (1996) (0)
Conductance Peak Splitting in the Coulomb Blockade as Signature of Spin Interactions (2023) (0)
Density Functional Theory Study of Cu(532) (2005) (0)
Island Size Selectivity during 2D coarsening of Ag/Ag(111) Surface (2010) (0)
Electronic structure of the cÑ2ˆ2ÖO'CuÑ001Ö system (2002) (0)
First principles studies of Carbon ring formation underneath of hexagonal boron nitride growth on Rh(111) (2018) (0)
Preparing macromolecular systems on surfaces: general discussion. (2017) (0)
Role of defects in the adsorption of small molecules on single-layer hexagonal boron nitride (2017) (0)
Is the Debye-temperature a useful concept at the nanometer scale? Insights from\textit{ ab initio} free energy calculations of Au$_{13 }$and Au$_{12}$Fe nanoclusters (2011) (0)
Dominant contributions to the apparent activation energy in two-dimensional submonolayer growth: comparison between Cu/Ni(111) and Ni/Cu(111) (2020) (0)

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