Jeffrey Grossman

Q: What Schools Are Affiliated With Jeffrey Grossman

Jeffrey Grossman is affiliated with the following schools: University of California, Berkeley, Massachusetts Institute of Technology, Stanford University, Johns Hopkins University, University of Illinois Urbana-Champaign

Jeffrey Grossman's AcademicInfluence.com Rankings

Jeffrey Grossman

Engineering

#3588

World Rank

#4690

Historical Rank

Applied Physics

#699

World Rank

#721

Historical Rank

engineering Degrees

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Engineering

Jeffrey Grossman's Degrees

PhD Materials Science and Engineering Stanford University
Masters Materials Science and Engineering Stanford University
Bachelors Materials Science and Engineering University of California, Berkeley

Why Is Jeffrey Grossman Influential?

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According to Wikipedia, Jeffrey Grossman is an American engineer, the Morton and Claire Goulder and Family Professor in Environmental Systems at the Massachusetts Institute of Technology. His research has included the development of materials that can store solar energy chemically, and then release the energy at a later time as heat, a process for constructing electronic components out of coal, novel three-dimensional arrangements for solar panels, and studies on the use of graphene for water desalination.

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Jeffrey Grossman'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

Water desalination across nanoporous graphene. (2012) (1648)
Extraordinary sunlight absorption and one nanometer thick photovoltaics using two-dimensional monolayer materials. (2013) (1528)
Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2. (2012) (1094)
Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged, and free excitons (2013) (841)
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties. (2017) (832)
Energy level modification in lead sulfide quantum dot thin films through ligand exchange. (2014) (757)
Broad-range modulation of light emission in two-dimensional semiconductors by molecular physisorption gating. (2013) (627)
Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal vanadium dioxide beams. (2009) (503)
Exciton radiative lifetimes in two-dimensional transition metal dichalcogenides. (2015) (477)
Water confined in nanotubes and between graphene sheets: a first principle study. (2008) (380)
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. II. (2004) (329)
Surface chemistry of silicon nanoclusters. (2002) (310)
Scalable enhancement of graphene oxide properties by thermally driven phase transformation. (2014) (302)
Multilayer Nanoporous Graphene Membranes for Water Desalination. (2016) (290)
Nanoporous Si as an efficient thermoelectric material. (2008) (249)
Quantifying the potential of ultra-permeable membranes for water desalination (2014) (245)
The impact of functionalization on the stability, work function, and photoluminescence of reduced graphene oxide. (2013) (231)
Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels. (2014) (217)
Mechanical strength of nanoporous graphene as a desalination membrane. (2014) (215)
Transition metals and their carbides and nitrides: Trends in electronic and structural properties (1999) (214)
Azobenzene-functionalized carbon nanotubes as high-energy density solar thermal fuels. (2011) (214)
Nanoporous graphene as a reverse osmosis membrane: Recent insights from theory and simulation (2015) (197)
Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations (2015) (191)
Ultralow thermal conductivity in all-inorganic halide perovskites (2017) (187)
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. (2004) (186)
Toward efficient carbon nanotube/P3HT solar cells: active layer morphology, electrical, and optical properties. (2011) (184)
Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination. (2014) (181)
Optically-controlled long-term storage and release of thermal energy in phase-change materials (2017) (178)
Impact of stoichiometry on the electronic structure of PbS quantum dots. (2013) (168)
Quantum Monte Carlo calculations of nanostructure optical gaps: application to silicon quantum dots. (2002) (163)
Self-Driven Photodetector and Ambipolar Transistor in Atomically Thin GaTe-MoS2 p-n vdW Heterostructure. (2016) (149)
Chemistry and Structure of Graphene Oxide via Direct Imaging. (2016) (144)
Computational studies of the optical emission of silicon nanocrystals. (2003) (141)
High accuracy many-body calculational approaches for excitations in molecules. (2000) (139)
Role of semiconducting and metallic tubes in P3HT/carbon-nanotube photovoltaic heterojunctions: density functional theory calculations. (2008) (139)
Polarity governs atomic interaction through two-dimensional materials (2018) (136)
Lattice thermal conductivity of nanoporous Si : Molecular dynamics study (2007) (128)
Optical and Electronic Properties of Two-Dimensional Layered Materials (2017) (127)
Semiconducting monolayer materials as a tunable platform for excitonic solar cells. (2012) (125)
Insulator-to-metal transition in selenium-hyperdoped silicon: observation and origin. (2011) (125)
Linear-scaling quantum Monte Carlo calculations. (2001) (123)
Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes (2018) (122)
Sleep quality, duration, and consistency are associated with better academic performance in college students (2019) (119)
Insights on interfacial charge transfer across P3HT/fullerene photovoltaic heterojunction from Ab initio calculations. (2007) (117)
Thermal transport in functionalized graphene. (2012) (115)
Nanocarbon-based photovoltaics. (2012) (115)
Surface control of optical properties in silicon nanoclusters (2002) (114)
Thermal transport in nanoporous silicon: interplay between disorder at mesoscopic and atomic scales. (2011) (113)
Benchmark quantum Monte Carlo calculations (2002) (112)
Charge separation via strain in silicon nanowires. (2009) (112)
Polychiral semiconducting carbon nanotube-fullerene solar cells. (2014) (109)
Atomic Structure and Dynamics of Single Platinum Atom Interactions with Monolayer MoS2. (2017) (105)
Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles (2012) (103)
ELECTRON-PHONON INTERACTIONS IN SOLID C36 (1998) (102)
Optoelectronic properties in monolayers of hybridized graphene and hexagonal boron nitride. (2012) (99)
Mechanism of thermal reversal of the (fulvalene)tetracarbonyldiruthenium photoisomerization: toward molecular solar-thermal energy storage. (2010) (93)
Self-assembly and its impact on interfacial charge transfer in carbon nanotube/P3HT solar cells. (2010) (91)
Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations (2011) (90)
Enhancing the thermoelectric power factor with highly mismatched isoelectronic doping. (2010) (89)
Electronic and structural properties of molecular C36 (1998) (86)
Two-dimensional covalent triazine framework as an ultrathin-film nanoporous membrane for desalination. (2015) (84)
Solid‐State Solar Thermal Fuels for Heat Release Applications (2016) (83)
The electronic structure of liquid water within density-functional theory. (2005) (83)
Calculation of optical absorption spectra of hydrogenated Si clusters: Bethe-Salpeter equation versus time-dependent local-density approximation (2003) (81)
Molecularly Engineered Azobenzene Derivatives for High Energy Density Solid-State Solar Thermal Fuels. (2017) (79)
Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials (2019) (78)
Significantly reduced thermal conductivity and enhanced thermoelectric properties of single- and bi-layer graphene nanomeshes with sub-10 nm neck-width (2017) (77)
Solar energy generation in three dimensions (2011) (77)
Identifying and Eliminating Emissive Sub‐bandgap States in Thin Films of PbS Nanocrystals (2015) (77)
New insights into the thermal reduction of graphene oxide: Impact of oxygen clustering (2016) (77)
Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts. (2016) (71)
Insight on Tricalcium Silicate Hydration and Dissolution Mechanism from Molecular Simulations. (2015) (66)
Correlations from Ion Pairing and the Nernst-Einstein Equation. (2018) (65)
Photoswitchable Molecular Rings for Solar-Thermal Energy Storage. (2013) (65)
Hybrid chromophore/template nanostructures: a customizable platform material for solar energy storage and conversion. (2013) (65)
Quantum confinement and electronic properties of tapered silicon nanowires. (2008) (62)
High-efficiency thermoelectrics with functionalized graphene. (2015) (61)
Atomically Flat Zigzag Edges in Monolayer MoS2 by Thermal Annealing. (2017) (60)
Graphene oxide as a promising hole injection layer for MoS₂-based electronic devices. (2014) (60)
Single functional group interactions with individual carbon nanotubes. (2007) (60)
Ionic Highways from Covalent Assembly in Highly Conducting and Stable Anion Exchange Membrane Fuel Cells. (2019) (58)
Photon energy storage materials with high energy densities based on diacetylene–azobenzene derivatives (2016) (55)
Water at a hydrophilic solid surface probed by ab initio molecular dynamics: inhomogeneous thin layers of dense fluid. (2005) (54)
Scanning Tunneling Spectroscopy of C36 (1999) (54)
The Characterization, Stability, and Reactivity of Synthetic Calcium Silicate Surfaces from First Principles (2014) (54)
Laser-sculptured ultrathin transition metal carbide layers for energy storage and energy harvesting applications (2019) (54)
Set in stone? A perspective on the concrete sustainability challenge (2012) (52)
Quantum Monte Carlo for electronic excitations of free-base porphyrin. (2004) (51)
Structural origins of intrinsic stress in amorphous silicon thin films (2012) (50)
Quantum Monte Carlo simulation of nanoscale MgH2 cluster thermodynamics. (2009) (50)
MoS2 Enhanced T-Phase Stabilization and Tunability Through Alloying. (2016) (48)
Hierarchical Visualization of Materials Space with Graph Convolutional Neural Networks (2018) (48)
Role of Structural Defects in the Water Adsorption Properties of MOF-801 (2018) (48)
Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics (2020) (48)
Failing Forward: Stability of Transparent Electrodes Based on Metal Nanowire Networks (2020) (47)
Point-defect optical transitions and thermal ionization energies from quantum Monte Carlo methods: Application to the F-center defect in MgO (2012) (46)
Ultralong 1D Vacancy Channels for Rapid Atomic Migration during 2D Void Formation in Monolayer MoS2. (2018) (46)
X-ray transient absorption and picosecond IR spectroscopy of fulvalene(tetracarbonyl)diruthenium on photoexcitation. (2012) (46)
High Surface Reactivity and Water Adsorption on NiFe2O4 (111) Surfaces (2013) (44)
Enhanced Cell Capture on Functionalized Graphene Oxide Nanosheets through Oxygen Clustering. (2017) (44)
Epitaxial Dimers and Auger-Assisted Detrapping in PbS Quantum Dot Solids (2019) (43)
Atomistic oxidation mechanism of a carbon nanotube in nitric acid. (2010) (42)
Toward phonon-boundary engineering in nanoporous materials (2014) (42)
Three-dimensional photovoltaics (2010) (42)
Influence of synthesis conditions on the structural and optical properties of passivated silicon nanoclusters. (2003) (41)
Cation- and pH-Dependent Hydrogen Evolution and Oxidation Reaction Kinetics (2021) (40)
Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO 3 thin films (2012) (40)
High Accuracy Molecular Heats of Formation and Reaction Barriers: Essential Role of Electron Correlation (1997) (40)
Process Control of Atomic Layer Deposition Molybdenum Oxide Nucleation and Sulfidation to Large-Area MoS2 Monolayers (2017) (38)
Superelastic metal-insulator phase transition in single-crystal VO 2 nanobeams (2009) (38)
Origins of the Stokes Shift in PbS Quantum Dots: Impact of Polydispersity, Ligands, and Defects. (2018) (38)
Double-Sided Graphene Oxide Encapsulated Silver Nanowire Transparent Electrode with Improved Chemical and Electrical Stability (2020) (38)
Theoretical study of a three-dimensional all-sp{sup 2} structure (1998) (37)
Rethinking Coal: Thin Films of Solution Processed Natural Carbon Nanoparticles for Electronic Devices. (2016) (37)
Strain-induced accelerated asymmetric spatial degradation of polymeric vascular scaffolds (2018) (37)
Efficient quantum monte carlo energies for molecular dynamics simulations. (2005) (37)
Thermoelectric properties of nanoporous Si (2008) (37)
Heat Conduction in Nanostructured Materials Predicted by Phonon Bulk Mean Free Path Distribution (2015) (36)
Atomic structure and formation mechanism of sub-nanometer pores in 2D monolayer MoS2. (2017) (35)
Mesoscale modeling of phononic thermal conductivity of porous Si: interplay between porosity, morphology and surface roughness (2012) (35)
Controlled formation of closed-edge nanopores in graphene. (2015) (34)
Microscopic description of light induced defects in amorphous silicon solar cells. (2008) (34)
Optical properties of passivated silicon nanoclusters: the role of synthesis. (2004) (34)
Charge separation in nanoscale photovoltaic materials: recent insights from first-principles electronic structure theory (2010) (34)
Quantum and Classical Molecular Dynamics Simulations of Hydrophobic Hydration Structure around Small Solutes (2004) (34)
Room Temperature Multiferroicity of Charge Transfer Crystals. (2015) (33)
Exploring the potential of fulvalene dimetals as platforms for molecular solar thermal energy storage: computations, syntheses, structures, kinetics, and catalysis. (2014) (32)
Conformal Electroplating of Azobenzene-Based Solar Thermal Fuels onto Large-Area and Fiber Geometries. (2016) (32)
Tunable and Energetically Robust PbS Nanoplatelets for Optoelectronic Applications (2016) (31)
Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities Using First-Principles (2015) (31)
Thermodynamic-driven polychromatic quantum dot patterning for light-emitting diodes beyond eye-limiting resolution (2020) (31)
Capillary-fed, thin film evaporation devices (2020) (31)
Torsional Deformations in Subnanometer MoS Interconnecting Wires. (2016) (31)
Origins of hole traps in hydrogenated nanocrystalline and amorphous silicon revealed through machine learning (2014) (31)
Atomic Structure and Dynamics of Self-Limiting Sub-Nanometer Pores in Monolayer WS2. (2018) (30)
Electron−hole separation in ferroelectric oxides for efficient photovoltaic responses (2017) (29)
Facets of nanotube synthesis: High-resolution transmission electron microscopy study and density functional theory calculations (2009) (28)
Revealing the Cluster‐Cloud and Its Role in Nanocrystallization (2019) (28)
Preserving nanoscale features in polymers during laser induced graphene formation using sequential infiltration synthesis (2020) (28)
Photoluminescent Arrays of Nanopatterned Monolayer MoS2 (2017) (27)
Mpemba-Like Behavior in Carbon Nanotube Resonators (2011) (27)
Extended X-ray absorption fine structure spectroscopy of selenium-hyperdoped silicon (2013) (27)
Band Engineering by Controlling vdW Epitaxy Growth Mode in 2D Gallium Chalcogenides (2016) (27)
Atomic Structure and Dynamics of Defects in 2D MoS2 Bilayers (2017) (26)
Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes (2019) (26)
Optically-regulated thermal energy storage in diverse organic phase-change materials. (2018) (26)
Adsorption-induced surface stresses in alkanethiolate-au self-assembled monolayers. (2008) (26)
Passive Sub-Ambient Cooling from a Transparent Evaporation-Insulation Bilayer (2020) (26)
Grain boundary engineering for improved thin silicon photovoltaics. (2014) (26)
SOLID C36 : CRYSTAL STRUCTURES, FORMATION, AND EFFECTS OF DOPING (1999) (26)
Predicting charge density distribution of materials using a local-environment-based graph convolutional network (2019) (25)
Striated 2D Lattice with Sub‐nm 1D Etch Channels by Controlled Thermally Induced Phase Transformations of PdSe2 (2019) (25)
Laser-engineered heavy hydrocarbons: Old materials with new opportunities (2020) (24)
Stress effects on the Raman spectrum of an amorphous material: Theory and experiment on a -Si:H (2015) (24)
Optical properties of silicon clusters in the presence of water: a first principles theoretical analysis. (2004) (24)
Anomalous dissipation in single-walled carbon nanotube resonators. (2009) (24)
Nanomechanical energy transfer and resonance effects in single-walled carbon nanotubes. (2007) (23)
Inorganic Cage Motion Dominates Excited-State Dynamics in 2D-Layered Perovskites (CxH2x+1NH3)2PbI4 (x = 4–9) (2019) (23)
Origins of structural hole traps in hydrogenated amorphous silicon. (2013) (23)
Atomic structure and defect dynamics of monolayer lead iodide nanodisks with epitaxial alignment on graphene (2020) (23)
Toward the Ultimate Limit of Connectivity in Quantum Dots with High Mobility and Clean Gaps. (2016) (22)
Plasma enhanced atomic layer deposition of molybdenum carbide and nitride with bis(tert-butylimido)bis(dimethylamido) molybdenum (2017) (22)
Tuning metal hydride thermodynamics via size and composition: Li-H, Mg-H, Al-H, and Mg-Al-H nanoclusters for hydrogen storage. (2012) (22)
Magnetic properties in graphene-graphane superlattices (2010) (22)
Laser-Induced Graphene from Polyimide and Polyethersulfone Precursors as a Sensing Electrode in Anodic Stripping Voltammetry. (2020) (21)
Street-heat: Controlling road temperature via low enthalpy geothermal energy (2017) (21)
Accelerating the design of solar thermal fuel materials through high throughput simulations. (2014) (21)
Cation-Dependent Interfacial Structures and Kinetics for Outer-Sphere Electron-Transfer Reactions (2021) (21)
Quantum Monte Carlo calculations for minimum energy structures. (2010) (20)
Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics (2021) (20)
The Materials Research Platform: Defining the Requirements from User Stories (2019) (20)
Fundamental Insights on Hydration Environment of Boric Acid and Its Role in Separation from Saline Water (2020) (20)
Solvent- and Anion-Dependent Li+–O2– Coupling Strength and Implications on the Thermodynamics and Kinetics of Li–O2 Batteries (2020) (20)
Computer calculations across time and length scales in photovoltaic solar cells (2016) (20)
Kinetics of Sorption in Hygroscopic Hydrogels. (2022) (20)
Genome-inspired molecular identification in organic matter via Raman spectroscopy (2016) (20)
Effect of Chemical Variations in the Structure of Poly(ethylene oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes (2019) (19)
Role of exchange in density-functional theory for weakly interacting systems: Quantum Monte Carlo analysis of electron density and interaction energy (2009) (19)
Epitaxial Templating of Two-Dimensional Metal Chloride Nanocrystals on Monolayer Molybdenum Disulfide. (2017) (18)
Investigation of a Quantum Monte Carlo Protocol To Achieve High Accuracy and High-Throughput Materials Formation Energies. (2017) (18)
A 3D-printed molecular ferroelectric metamaterial (2020) (18)
Getting Down to Business: Using Speedstorming to Initiate Creative Cross-Disciplinary Collaboration (2010) (18)
Quantum Monte Carlo and density functional theory characterization of 2-cyclopentenone and 3-cyclopentenone formation from O(3P) + cyclopentadiene (2000) (17)
All-polymeric control of nanoferronics (2015) (17)
Single-molecule-resolved structural changes induced by temperature and light in surface-bound organometallic molecules designed for energy storage. (2011) (17)
Interplay of wetting and elasticity in the nucleation of carbon nanotubes. (2011) (16)
Unveiling the phonon scattering mechanisms in half-Heusler thermoelectric compounds (2020) (16)
Direct correlation between aromatization of carbon-rich organic matter and its visible electronic absorption edge (2015) (14)
Catalyst Self-Assembly for Scalable Patterning of Sub 10 nm Ultrahigh Aspect Ratio Nanopores in Silicon. (2016) (14)
Low-frequency Raman spectrum of 2D layered perovskites: Local atomistic motion or superlattice modes? (2020) (14)
Quantitative Mapping of Molecular Substituents to Macroscopic Properties Enables Predictive Design of Oligoethylene Glycol-Based Lithium Electrolytes (2020) (14)
Manipulating Electronic Energy Disorder in Colloidal Quantum Dot Solids for Enhanced Charge Carrier Transport (2016) (14)
Highly Conductive and Permeable Nanocomposite Ultrafiltration Membranes Using Laser-Reduced Graphene Oxide. (2021) (14)
Structural and electronic properties and possible superconductivity in simple cubic Fe (1990) (13)
Nanohole Structuring for Improved Performance of Hydrogenated Amorphous Silicon Photovoltaics. (2016) (13)
Silver Nanowire Back Electrode Stabilized with Graphene Oxide Encapsulation for Inverted Semitransparent Organic Solar Cells with Longer Lifetime (2021) (13)
Phonon bottleneck identification in disordered nanoporous materials (2016) (13)
Structure-property relations in amorphous carbon for photovoltaics (2014) (12)
Supporting Information for : Extraordinary Sunlight Absorption and 1 nm-Thick Photovoltaics using Two-Dimensional Monolayer Materials (2013) (12)
Chemically Driven Interfacial Coupling in Charge-Transfer Mediated Functional Superstructures. (2016) (11)
Passivation effects of silicon nanoclusters (2002) (11)
Energy gap of Kronig-Penney-type hydrogenated graphene superlattices (2011) (11)
Adhesion of single functional groups to individual carbon nanotubes: electronic effects probed by \textit{ab-initio} calculations (2006) (11)
Human- and machine-centred designs of molecules and materials for sustainability and decarbonization (2022) (11)
Carbon fiber synthesis from pitch: Insights from ReaxFF based molecular dynamics simulations (2021) (11)
Six Degrees of Separation: Connecting Research with Users and Cost Analysis (2017) (11)
Blue Light Emitting Defective Nanocrystals Composed of Earth-Abundant Elements. (2019) (11)
Charge Density and Redox Potential of LiNiO2 Using Ab Initio Diffusion Quantum Monte Carlo (2019) (11)
Natural Carbon By‐Products for Transparent Heaters: The Case of Steam‐Cracker Tar (2019) (10)
Phonon diodes and transistors from magneto-acoustics (2014) (10)
Nanomechanical resonance spectroscopy: a novel route to ultrasensitive label-free detection. (2008) (10)
Enhancing light emission efficiency without color change in post-transition metal chalcogenides. (2016) (10)
Quantum Monte Carlo Simulation of Nanoscale MgH 2 Cluster Thermodynamics (2009) (9)
Conductive carbonaceous membranes: recent progress and future opportunities (2021) (9)
Optimization of the Thermoelectric Figure of Merit in Crystalline C60 with Intercalation Chemistry. (2016) (9)
Freestanding Organic Charge-Transfer Conformal Electronics. (2018) (9)
Putting the Discipline in Interdisciplinary: Using Speedstorming to Teach and Initiate Creative Collaboration in Nanoscience (2009) (9)
High-Pressure-Sintering-Induced Microstructural Engineering for an Ultimate Phonon Scattering of Thermoelectric Half-Heusler Compounds. (2021) (8)
Quantum Monte Carlo calculations of the energy-level alignment at hybrid interfaces: Role of many-body effects (2009) (8)
Tuning the potential energy landscape to suppress Ostwald Ripening in surface-supported catalyst systems. (2019) (8)
Charge Transport in Highly Heterogeneous Natural Carbonaceous Materials (2019) (7)
Functionalized Graphene Superlattice as a Single‐Sheet Solar Cell (2015) (7)
Theory and Simulation of Nanostructured Materials for Photovoltaic Applications (2010) (7)
Structure and Stability of Molecular Carbon: Importance of Electron Correlation [Phys. Rev. Lett. 75, 3870 (1995)] (1996) (7)
Synthesis dynamics of passivated silicon nanoclusters (2003) (7)
Transport-Based Modeling of Bubble Nucleation on Gas Evolving Electrodes. (2020) (7)
First-Principles Assessment of the Reactions of Boric Acid on NiO(001) and ZrO2(1̅11) Surfaces (2012) (7)
Novel nanomaterials for water desalination technology (2013) (7)
Ultra-high aspect ratio functional nanoporous silicon via nucleated catalysts (2017) (7)
Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for Dihydroazulene/Vinylheptafulvene Photochromism Using Diffusion Monte Carlo (2017) (7)
Structural evolutions of small aromatic mixtures under extreme temperature conditions: Insights from ReaxFF molecular dynamics investigations (2019) (7)
Thermodynamic limits to energy conversion in solar thermal fuels (2018) (6)
Molecular Assembly-Induced Charge Transfer for Programmable Functionalities (2017) (6)
Prediction of ultra-high aspect ratio nanowires from self-assembly. (2008) (6)
Tailoring the optical properties of MoS2 and WS2 single layers via organic functionalization (2019) (6)
Screening and Understanding Li Adsorption on Two-Dimensional Metallic Materials by Learning Physics and Physics-Simplified Learning (2020) (6)
Importance of Equilibration Method and Sampling for Ab Initio Molecular Dynamics Simulations of Solvent-Lithium-Salt Systems in Lithium-Oxygen Batteries. (2020) (6)
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties (2021) (6)
Bandlike Transport in PbS Quantum Dot Superlattices with Quantum Confinement. (2019) (6)
Quantum Monte Carlo Study of Si and C Molecular Systems (1997) (6)
Hole-mobility-limiting atomic structures in hydrogenated amorphous silicon (2014) (5)
Quantum Monte Carlo Simulation of Nanoscale MgH2 Cluster Thermodynamics (2009) (5)
Engineering Efficient p‐Type TMD/Metal Contacts Using Fluorographene as a Buffer Layer (2017) (5)
Multiscale Phonon Conduction in Nanostructured Materials Predicted by Bulk Thermal Conductivity Accumulation Function (2013) (5)
Blue Light Emitting Defective Nanocrystals Composed of Earth‐Abundant Elements (2019) (5)
THE EFFECTS OF 100% OXYGEN AT REDUCED PRESSURE ON THE IGNITIBILITY AND COMBUSTIBILITY OF MATERIALS. (1965) (5)
Optimal Sunlight Harvesting in Photovoltaics and Photosynthesis (2013) (5)
Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning (2021) (5)
Strain engineering and one-dimensional organization of metal-insulator domains in single-crystal VO 2 beams (2009) (5)
Upgrading carbonaceous materials: Coal, tar, pitch, and beyond (2022) (5)
Atoms to fibers: Identifying novel processing methods in the synthesis of pitch-based carbon fibers (2022) (4)
Design Rules for Transparent Push-Pull Electron Acceptors: A Case Study on Perylenediimide Derivatives. (2020) (4)
Phonostat: thermostatting phonons in molecular dynamics simulations. (2011) (4)
Optoelectronic Properties and Excitons in Hybridized Boron Nitride and Graphene Hexagonal Monolayers (2012) (4)
Graphene Nanoribbon Based Thermoelectrics: Controllable Self‐ Doping and Long‐Range Disorder (2017) (4)
Charting Lattice Thermal Conductivity of Inorganic Crystals (2020) (4)
Printing Air-Stable High-Tc Molecular Magnet with Tunable Magnetic Interaction. (2022) (4)
Atomic Structure of Dislocations and Grain Boundaries in Two-Dimensional PtSe2. (2021) (4)
Cyclopentadiene stability: Quantum Monte Carlo, coupled cluster, and density functional theory determinations (1999) (4)
Laser‐Induced Cooperative Transition in Molecular Electronic Crystal (2021) (4)
Emerged Metallicity in Molecular Ferromagnetic Wires. (2021) (4)
Laser-Induced Tar-Mediated Sintering of Metals and Refractory Carbides in Air. (2020) (4)
Aromaticity and hydrogenation patterns in highly strained fullerenes (2002) (4)
Graphene Oxide as a Promising Hole Injection Layer for MoS[subscript 2]-based Electronic Devices (2014) (3)
Erratum: “Water permeability of nanoporous graphene at realistic pressures for reverse osmosis desalination” [J. Chem. Phys. 141, 074704 (2014)] (2014) (3)
2D Monolayers for Superior Transparent Electromagnetic Interference Shielding. (2022) (3)
CONTROLLING AIR CONTENT IN CONCRETE THAT IS BEING PUMPED, A SYNTHESIS STUDY (1998) (3)
Toward Molecular Solar-Thermal Energy Storage: Systematic Search for New Molecular Systems (2010) (3)
Oxynitride-Encapsulated Silver Nanowire Transparent Electrode with Enhanced Thermal, Electrical, and Chemical Stability. (2022) (3)
Electronic, Structural, and Magnetic Upgrading of Coal-Based Products through Laser Annealing. (2022) (3)
Emerging Magnetic Interactions in van der Waals Heterostructures. (2020) (3)
Conformal Encapsulation of Silver Nanowire Transparent Electrodes by Nanosized Reduced Graphene Oxide Leading to Improved All-Round Stability. (2022) (3)
Numerical validation of the dusty-gas model for binary diffusion in low aspect ratio capillaries (2021) (3)
Nanoporous Silicon-Assisted Patterning of Monolayer MoS2 with Thermally Controlled Porosity: A Scalable Method for Diverse Applications (2018) (2)
Nanostructured Bulk-Heterojunction Solar Cells Based on Amorphous Carbon (2017) (2)
Thermoelectric properties of nanoporous (2009) (2)
Structural and Electronic Properties of Quantum Dot Surfaces (2002) (2)
The Structure and Stokes Shift of Hydrogenated Silicon Nanoclusters (2004) (2)
Examining graph neural networks for crystal structures: limitations and opportunities for capturing periodicity (2022) (2)
Sleep quality, duration, and consistency are associated with better academic performance in college students (2019) (2)
Sound and noisy light: Optical control of phonons in photoswitchable structures (2015) (2)
CNT Heterojunction Modeler (2008) (2)
Accelerating the screening of amorphous polymer electrolytes by learning to reduce random and systematic errors in molecular dynamics simulations (2021) (2)
Reconfigurable photonics enabled by optical phase change materials (Conference Presentation) (2018) (1)
Examining graph neural networks for crystal structures: limitation on capturing periodicity (2022) (1)
QWalk Quantum Monte Carlo Tutorial (2007) (1)
Unintended consequences: Why carbonation can dominate in microscale hydration of calcium silicates (2015) (1)
Effects of Solvent-Salt Charge-Transfer Complexes on Oxidative Stability of Li-Ion Battery Electrolytes (2018) (1)
Electronic, Optical and Transport Properties of PbS Nanocrystal Superlattices (2019) (1)
Energy level modification in lead sulfide quantum dot photovoltaics through ligand exchange (2014) (1)
Adsorption-based membranes for air separation using transition metal oxides (2021) (1)
Structural Origins of Scintillation: Metal Organic Frameworks as a Nanolaboratory (2016) (1)
Investigation of metal hydride nanoparticles templated in metal organic frameworks. (2010) (1)
Band transport of PbS quantum dot superlattices (2017) (1)
MIT Atomic Scale Modeling Toolkit (2008) (1)
Density Functional Theory Calculations of the Role of Defects in Amorphous Silicon Solar Cells (2010) (1)
Exciton Radiative Lifetimes in Layered Transition Metal Dichalcogenides (2015) (1)
Effects of confinement on the thermodynamics and kinetics of metal hydrides templated in ordered nanoporous frameworks. (2010) (1)
Heat and Mass Transfer in Hygroscopic Hydrogels (2022) (1)
Significantly enhanced sub-ambient passive cooling enabled by evaporation, radiation, and insulation (2022) (1)
De-densifying metallic nanowire networks using betweenness centrality (2022) (1)
Evidence of Conjugation Enhancement in P3HT/SWNT Mixtures for Organic Photovoltaics (2011) (1)
Amorphous Silicon Generator (2010) (1)
Theoretical study of a new Three-Dimensional All-sp2Structure (1997) (1)
Electronic properties of water (2005) (1)
Atomic Structure and Dynamics of Single Pt Atom Interactions with Monolayer MoS2 (2017) (1)
Mesoscale modeling of phononic thermal conductivity of porous Si: interplay between porosity, morphology and surface roughness (2012) (1)
Resonant behavior in heat transfer across weak molecular interfaces (2013) (1)
Hierarchically Structured Nanoparticle Monolayers for the Tailored Etching of Nanoporous Silicon (2019) (1)
Theoretical Insights on Interfacial Charge Transfer across the P3HT/Fullerene Photovoltaic Heterojunction from ab Initio Calculations (2007) (1)
Photovoltaics: Advances in First Principles Modeling – Overview (2020) (1)
Simulations Of Fast Magnetic Field Penetration Into A Plasma (1994) (0)
Quantum Monte Carlo calculations of the energy-level alignment at organic-inorganic hybrid interfaces (2009) (0)
The electronic structure of radial p-n junction silicon nanowires (2007) (0)
Atomic interaction through two-dimensional materials governed by competitive energy fluctuations (2019) (0)
Correction to Chemistry and Structure of Graphene Oxide via Direct Imaging. (2017) (0)
Improving Band Line-up: DFT study of interface effects (2014) (0)
All-Carbon Photovoltaics (2012) (0)
Inorganic Cage Motion Dominates Excited-State Dynamics in 2D-Layered Perovskites (CₓH₂ₓ₊₁NH₃)₂PbI₄ (x = 4–9) (2019) (0)
Stretching simulation of an alpha-helical protein domain (2011) (0)
Amorphous carbon for photovoltaics (2015) (0)
Structural Evolutions of Small Aromatic Mixtures Under Extreme Temperature Conditions (2020) (0)
Improved synthesis of chemically derived graphene using a thermal processing step (2014) (0)
Final Report on Projec “Smart Nanostructure Computer Simulations (2002) (0)
Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling (2008) (0)
Cyclobutene based macrocycles (2020) (0)
Addressing the challenges of solar thermal fuels via atomic-scale computational design and experiment (2012) (0)
Thermal conductivity of partially hydrogenated graphene (2011) (0)
Effects of reconstructions of surfaces, steps and defects in the electronic properties of Si quantum dots (2002) (0)
Optical Properties Of Silicon Nanoparticles In The Presence Of Water (2004) (0)
Dissipation in suspended carbon nanotube oscillators (2006) (0)
Computational Nanoscience, Lecture 28: Wish-List, Reactions, and X-Rays. (2008) (0)
Computational Nanoscience, Lecture 8: Monte Carlo Simulation Part II (2008) (0)
Crack Propagation Lab (2010) (0)
Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Dendrite Suppression with Li Metal Anode (2018) (0)
Interface States in the metal-CdSe interfaces (2013) (0)
Nanostructured Optoelectronics Toolbox (2009) (0)
Computational search for hydrogen storage materials: accuracy and alloys (2011) (0)
How likely is it that two classmates have the same birthday (1997) (0)
Abstract Submitted for the MAR11 Meeting of The American Physical Society A Metal-Insulator Transition in Silicon Hyperdoped with Chalco- (2012) (0)
Achieving Chemical Accuracy in Li-rich Layered Oxide Materials via Quantum Monte Carlo Method (2017) (0)
Abstract Submitted for the MAR09 Meeting of The American Physical Society Lattice thermal conductivity of nanostructured semiconductors from atomistic simulations1 (2012) (0)
Title Atomistic Oxidation of a Carbon Nanotube in Nitric Acid Permalink (2010) (0)
Understanding Heat Dissipation in Carbon Nanotube Resonators: New Insights from Molecular Dynamics Simulation (2012) (0)
Fundamental understanding and computational design of thin-film photovoltaics materials (2011) (0)
First-principles Investigation of CdSe Nanowires using Wannier functions:Effects of Surface and Confinement on dielectric properties (2010) (0)
Quantum Monte Carlo for the Electronic Structure of Combustion Systems (2003) (0)
Lattice thermal conductivity of nanostructured semiconductors from atomistic simulations (2009) (0)
Ab Initio Molecular Dynamics Study of the Effect of Lithium Salts on Lithium Superoxide Clustering in Lithium-Air Batteries (2019) (0)
Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials (2019) (0)
Electronic structure of partially hydrogenated graphene superlattices (2011) (0)
Computational Nanoscience for Energy (2009) (0)
Computational Nanoscience, Lecture 11: Phase Transitions and the Ising Model (2008) (0)
Sound and Noisy Light: Tuning Phonon Modes in Photo-switchable Nanostructures (2014) (0)
Computational Nanoscience, Lecture 23: Modeling Morphological Evolution (2008) (0)
Simulation of Nanostructured Materials for Solar Energy Conversion (2010) (0)
Atomic structure and defect dynamics of monolayer lead iodide nanodisks with epitaxial alignment on graphene (2020) (0)
Photoisomerization dynamics of azobenzene materials for solar thermal fuels (2013) (0)
QMC Assessments of Weak-interaction Described by DFT within various XC approximations / Effects of Carbon Nanotube Oxidation on Molecular Interactions (2008) (0)
Two-Dimensional Semiconductors From Theory to Experiments: MoS$_{2}$ and MoSe$_{2}$ (2013) (0)
The role of bond switches in light-induced defects in amorphous silicon (2008) (0)
Mechanisms of charge diffusion in polyethylene oxide based electrolytes: insights from molecular dynamics simulations (2018) (0)
New-class of Semiconducting 2D materials: Tin Dichalcogenides (SnX2) (2015) (0)
Accurate Energies for Molecular Dynamics Simulations of Molecules and Liquids (2005) (0)
A Little Bit About Nanotechnology (2007) (0)
Quantum multifractality in thermal conduction across random interfaces (2020) (0)
Engineering Fossil Fuel-Derived Aromatics: Fundamentals And Novel Opportunities (2021) (0)
The Properties of Confined Water and Fluid Flow at the Nanoscale (2009) (0)
Getting the Most from 2-D Materials: the Role of Device Dimensionality (2015) (0)
Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing (2008) (0)
Scattering of charge carriers and phonons in thermoelectric devices (2011) (0)
Design of novel solar thermal fuels with high-throughput ab initio simulations (2014) (0)
The Effect of Size-Dependent Nanoparticle Energetics on Catalyst Sintering (2002) (0)
Continuous Representation of Chemical Environments for the Prediction of Material Properties (2018) (0)
Computational Nanoscience, Lecture 13: Introduction to Computational Quantum Mechanics (2008) (0)
Laser‐Induced Cooperative Transition in Molecular Electronic Crystal (Adv. Mater. 39/2021) (2021) (0)
MIT Tools for Energy Conversion and Storage (2009) (0)
Chapter 5:Simulating Thermomechanical Phenomena of Nanoscale Systems (2011) (0)
A cloud platform for automating and sharing analysis of raw simulation data from high throughput polymer molecular dynamics simulations (2022) (0)
The Helios Talks (2007) (0)
Stress engineering in amorphous silicon thin films (2011) (0)
Thermal conductivity of disordered porous Silicon (2013) (0)
Understanding the Growth of Carbon Nanotubes by Catalyst-Assisted Chemical Vapor Deposition (2008) (0)
Direct Correlation Between Aromatization of Kerogen in Organic Shales during Maturation and Its Visible Absorption Edge (2014) (0)
Beyond electronics, beyond optics: single circuit parallel computing with phonons (2013) (0)
Abstract Submitted for the MAR10 Meeting of The American Physical Society Enhancing thermoelectric power factor with highly mismatched isoelectronic doping (2012) (0)
Electronic structure of metallic reaction centers in biomolecules (2004) (0)
(Invited) Towards Large Scale Growth of Two-Dimensional Transition Metal Dichalcogenides (2016) (0)
Computational Nanoscience, Homework Assignment 1: Averages and Statistical Uncertainty (2008) (0)
Thermodynamic-driven polychromatic quantum dot patterning for light-emitting diodes beyond eye-limiting resolution (2020) (0)
Laser-sculptured ultrathin transition metal carbide layers for energy storage and energy harvesting applications (2019) (0)
Functional group interactions with single wall carbon NT studied by ab-initio calculations (2005) (0)
Computational Nanoscience, Lecture 9: Hard-Sphere Monte Carlo In-Class Simulation (2008) (0)
Intermediate Band Formation in Selenium Doped Silicon (2010) (0)
Computational Nanoscience, Lecture 18.5: A Little More, and Lots of Repetition, on Solids (2008) (0)
Computational Nanoscience, Lecture 6: Pair Distribution Function and More on Potentials (2008) (0)
Optimizing Nanopore Surface Properties for High-Efficiency Water Desalination (2011) (0)
Understanding Electronic, Optical and Thermal Properties of Transition Metal Chalcogenides (TMCs) (2014) (0)
Computational Nanoscience, Lecture 21: Quantum Monte Carlo, part II (2008) (0)
Accurate Isomerization Enthalpy and Investigation of the Errors in Density Functional Theory for DHA/ VHF Photochromism Using Diffusion Monte Carlo (2017) (0)
Computational Nanoscience, Lecture 12: In-Class Simulation of Ising Model (2008) (0)
Computational Nanoscience, Lecture 2: Introduction to Molecular Dynamics (2008) (0)
Simulation of Semiconductor Nanostructures (2002) (0)
Computational Nanoscience, Homework Assignment 4: Hard-Sphere Monte Carlo and Ising Model (2008) (0)
First-Principle Simulations Of Water (2004) (0)
Quantum Monte Carlo and Density Functional Theory Characterization of 2-Cyclopentenone and 3-Cyclopentenone Formation from O ( 3 P ) + Cyclopentadiene (2009) (0)
Quantum Monte Carlo calculation of point defect thermal and optical ionization levels: application to magnesium oxide and zinc oxide (2013) (0)
Designing Graphene-based Thermoelectric materials with Chem- (2012) (0)
Computational Nanoscience, Lecture 3: Computing Physical Properties (2008) (0)
Ab initio parametrization of bond-polarizability model for Raman spectroscopy of complex Si materials (2016) (0)
Fundamental efficiency limit for solar thermal fuels (2014) (0)
Molecular Dynamics Investigations of the Mechanical Properties of Heterogeneous Structures Composed of Graphene Sheets, Graphene Ribbons, and Boron Nitride Sheets (2019) (0)
Computational Nanoscience, Homework Assignment 2: Molecular Dynamics Simulation of a Lennard-Jones Liquid (2008) (0)
Computational Nanoscience, Pop-Quiz (2008) (0)
Atomic Structure and Dynamics of Defects in 2D MoS (2017) (0)
Chain-length dependence in surface stresses of alkanethiolate-covered Au(111) (2009) (0)
Nanowire Tensile Deformation Lab (2010) (0)
Computational Nanoscience, Lecture 27: Simulating Water and Examples in Computational Biology (2008) (0)
High efficiency morphologies for bulk heterojunction solar cells (2010) (0)
Computational Nanoscience, Lecture 15: In-Class Simulations: Hartree-Fock (2008) (0)
Electronic topological transitions in Cd at high pressures (2015) (0)
Computational Nanoscience, Lecture 29: Verification, Validation, and Some Examples (2008) (0)
DFT study of metal/organic interfaces; optimizing morphology and energy levels for maximum Voc (2012) (0)
Solvent-Anion Charge Transfer as Origin of Oxidative Degradation of Battery Electrolytes (2018) (0)
Ion solvation in confined water: A first-principles molecular dynamics investigation (2007) (0)
The basics of quantum Monte Carlo (2007) (0)
Solar Energy Generation in Three Dimensions: Supplementary Information (2012) (0)
Final Report on Project 01-ERD-017 ''Smart Nanostructures From Computer Simulations'' (2004) (0)
Geometry optimization with a noisy potential energy surface (2008) (0)
Coupled effect of Lanthanum Defects and Oxygen Vacancies in Strontium Titanate (2010) (0)
Optical properties of silicon nanoparticles in the presence of water: A first principles theoretical analysis (2004) (0)
Nanomechanical energy transfer in carbon nanotubes: fundamental insights from molecular dynamics simulations (2008) (0)
Single Circuit Parallel Computing with Phonons through Magneto-acoustics (2013) (0)
Structural and dynamical properties of water in hydrophobic confinement, as probed by \textit{ab-initio }molecular dynamics. (2007) (0)
Calculation of optical absorption spectra of hydrogenated Si clusters with the Bethe-Salpeter equation (2002) (0)
Computational Nanoscience, Lecture 1: Introduction to Computational Nanoscience (2008) (0)
Excellence in Computer Simulation (2007) (0)
Quantum Monte Carlo and Density Functional Theory Characterization of 2-Cyclopentenone and 3-Cyclopentenone Formation from O( (2009) (0)
Geometry optimization using Quantum Monte Carlo (2009) (0)
High Accuracy Ab Initio Calculational Approaches for Excitations in Molecules (2000) (0)
Graphene Based Materials as Novel Membranes for Water Desalination and Boron Separation (2017) (0)
Photovoltaic efficiency of an indirect bandgap material (2015) (0)
Computational Study of the O 2 /Li + -O 2 - Redox Couple in Li-Air Batteries (2018) (0)
Microscopic Understanding of Reactivity of Clinkers for Green Cement (2011) (0)
Bayesian-Optimization-Assisted Laser Reduction of Poly(acrylonitrile) for Electrochemical Applications. (2023) (0)
Computational Nanoscience, Lecture 10: Brief Review, Kinetic Monte Carlo, and Random Numbers (2008) (0)
3.021J / 1.021J / 10.333J / 18.361J / 22.00J Introduction to Modeling and Simulation, Spring 2011 (2008) (0)
Surface reactivity/stability and hydration of calcium silicate phases (2013) (0)
Efficient simulation of quasi-ballistic heat transport in nanostructured materials (2014) (0)
Abstract Submitted for the MAR15 Meeting of The American Physical Society Thermochemistry and Charge Delocalization in Cyclization Re- actions Using Accurate Quantum Monte Carlo Calculations KAYAHAN SARITAS, (2015) (0)
Cellule solaire à cristal photonique (2009) (0)
Computational Nanoscience, Lecture 14: Hartree-Fock Calculations (2008) (0)
Horu tihefiU lo lt thol Turo Clnulwahna llaw the Sar,rtB Bi,t(rnoy? (1997) (0)
Designing Graphene-based Thermoelectric materials with Chemical Functionalization (2013) (0)
Optically-controlled long-term storage and release of thermal energy in phase-change materials (2017) (0)
Computational Nanoscience, Homework Assignment 3: Molecular Dynamics Simulation of Carbon Nanotubes (2008) (0)
Charge Density and Redox Potential of LiNiO2 Using AbInitio Diffusion Quantum Monte Carlo (2020) (0)
nanoHUB PhotoVoltaics Reference Zone (2010) (0)
Photoluminescent Nano-Patterned Monolayer MoS 2 by Block Copolymer Lithography (2017) (0)
Quantum Monte Carlo methods for molecular systems: New developments and applications (1996) (0)
Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids (2008) (0)
Thermoelectric Properties of All-Inorganic Halide Perovskite Nanowires (2018) (0)
Computational Design of All-Carbon Photovoltaics (2011) (0)
Multiscale Modeling of Precursor Molecule Alignment for Improving Pitch-Based Carbon Fiber Production (2019) (0)
Accelerate the screening of complex materials by learning to reduce random and systematic errors (2020) (0)
First-principles study of surface stresses induced by target-receptor interactions on a cantilever sensor (2008) (0)
Nano*High: Nanoscience for High School Students (2010) (0)
Nano*High - February 9, 2008: Judy Campisi - \"Aging and Cancer: Rival Demons?\" (2010) (0)
Computational Nanoscience, Pop-Quiz Solutions (2008) (0)
Overview of Computational Nanoscience: a UC Berkeley Course (2008) (0)
Self-assembly of Poly(3-hexylthiophene) with nanostructured inorganic semiconductors for applications in photovoltaics: a computational study (2010) (0)
Ab initio calculations of intrinsic defects in ZnSb (2012) (0)
Stress effects on Raman spectroscopy of aSi:H -- theory and experiment (2015) (0)
Simulating Thermomechanical Phenomena of Nanoscale Systems (2011) (0)
Computational design of p-type contacts for MoS$_{2}$-based electronic devices (2015) (0)
A Metal-Insulator Transition in Silicon Hyperdoped with Chalcogens (2011) (0)
Theoretical and Experimental Framework of an Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon (2012) (0)
2015 Stress eﬀects on the Raman spectrum of an amorphous material: theory and experiment on a-Si:H (2015) (0)
Interplay between intrinsic defects, doping, and free carrier concentration in SrTiO[subscript 3] thin films (2012) (0)
Properties of Solar Thermal Fuels by Accurate Quantum Monte Carlo Calculations (2014) (0)
Computational nanomaterials for novel desalination membrane design: Nanoporous graphene (2012) (0)
Prediction of enhanced photovoltaic performance of amorphous silicon solar cells with filled nanopores (2011) (0)
Berkeley Computational Nanoscience Class Tools (2008) (0)
Supporting Information for The impact of functionalization on the stability , work function and photoluminescence of reduced graphene oxide (2012) (0)
Computational Nanoscience, Lecture 16: More and Less than Hartree-Fock (2008) (0)
Ion-ion correlations from aggregation and the Nernst-Einstein equation (2020) (0)
Thermochemistry and Charge Delocalization in Cyclization Reactions Using Accurate Quantum Monte Carlo Calculations (2015) (0)
QWalk Quantum Monte Carlo (2007) (0)
Computational Nanoscience, Lecture 5: A Day of In-Class Simulation: MD of Carbon Nanostructures (2008) (0)
Quantum Monte Carlo for Materials Design (2014) (0)
Stretching Simulation of FCC Crystal (2010) (0)
Azonbenzene-functionalized carbon nantubes as a high energy density solar thermal fuel (2011) (0)
Erratum: Publisher's Note: Superelastic metal-insulator phase transition in single-crystal VO2 nanobeams (Phys. Rev. B (2009) 80 (241105) (2009) (0)
Comparison of Classical Molecular Dynamics and Ab initio Molecular Dynamics with Different Equilibration Methods for Modeling Solvent - Lithium Salt Systems in Lithium Air Batteries (2020) (0)
Quantum and classical simulations of nanowire self-assembly (2007) (0)
Understanding and Controlling Intrinsic Dissipation in Driven Single Walled Carbon Nanotube Resonators (2011) (0)
Electron-Phonon Interactions in Solid C 36 (1998) (0)
Computational Nanoscience, Lecture 17: Tight-Binding, and Moving Towards Density Functional Theory (2008) (0)
Superelastic metal-insulator phase transition in single-crystal VO[subscript 2] nanobeams (2009) (0)
Bayesian Optimization for Designing Polymer Electrolytes with a Higher Lithium-ion Conductivity (2019) (0)
High throughput quantum Monte Carlo calculations of material formation energies (2017) (0)
Ultrafine Filteration of Metal Catalysts Enables Fabrication of Silicon Nanowires with Diameter Approaching a Unit Cell Size. (2023) (0)
(Invited) Graphene-Based Membranes for Nanofiltration (2018) (0)
Mineral and Geochemical Classification From Spectroscopy/Diffraction Through Neural Networks (2017) (0)
Electronic structure calculations of tapered silicon nanowires (2007) (0)
Simulating Nanoscale Heat Transport (2015) (0)
The effect of neutrals on the performance of plasma opening switches (1996) (0)
The Hall effect in MACH2: Basic tests and initial simulation results (1996) (0)
The Phonostat: Thermostating Phonons in Molecular Dynamics Simulations (2010) (0)

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