Silvana Botti

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Silvana Botti is affiliated with the following schools: Polytechnic Institute of Paris, University of Jena

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Silvana Botti

Physics

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#10710

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Physics

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According to Wikipedia, Silvana Botti is a full professor for Physics at the University of Jena. She is an expert in the development of first-principles methods for electronic excitations and methods for theoretical spectroscopy.

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Silvana Botti'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

Recent advances and applications of machine learning in solid-state materials science (2019) (1025)
Density-based mixing parameter for hybrid functionals (2010) (241)
Crystal Structure of Cold Compressed Graphite (2012) (212)
Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning (2017) (180)
Stability and electronic properties of new inorganic perovskites from high-throughput ab initio calculations (2016) (173)
Direct-bandgap emission from hexagonal Ge and SiGe alloys (2019) (165)
Time-dependent density-functional theory for extended systems (2007) (148)
Origin of the optical contrast in phase-change materials. (2007) (142)
Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory (2004) (137)
Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids (2019) (133)
Band structures of Cu2ZnSnS4 and Cu2ZnSnSe4 from many-body methods (2011) (116)
Strong interplay between structure and electronic properties in CuIn(S,Se){2}: a first-principles study. (2010) (115)
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications (2012) (112)
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities. (2007) (106)
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning (2020) (104)
Benchmark Many-Body GW and Bethe-Salpeter Calculations for Small Transition Metal Molecules. (2014) (85)
Prediction of Stable Nitride Perovskites (2015) (82)
High-pressure structures of disilane and their superconducting properties. (2011) (76)
Effects of electronic and lattice polarization on the band structure of delafossite transparent conductive oxides. (2009) (74)
First-principles study of the band structure and optical absorption of CuGaS2 (2011) (70)
First Principles Approaches to Spectroscopic Properties of Complex Materials (2014) (62)
Band structures of delafossite transparent conductive oxides from a self-consistent GW approach (2010) (60)
Sodium–gold binaries: novel structures for ionic compounds from an ab initio structural search (2013) (57)
Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural Prediction (2015) (55)
Low-density silicon allotropes for photovoltaic applications (2015) (54)
Crystal structure of cold compressed graphite. (2011) (51)
Optical and magnetic properties of boron fullerenes. (2009) (51)
TDDFT from Molecules to Solids: The Role of Long-Range Interactions (2005) (49)
High-throughput search of ternary chalcogenides for p-type transparent electrodes (2017) (46)
Identification of fullerene-like CdSe nanoparticles from optical spectroscopy calculations (2006) (44)
The planar-to-tubular structural transition in boron clusters from optical absorption. (2005) (44)
Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure (2014) (43)
Strong renormalization of the electronic band gap due to lattice polarization in the GW formalism. (2013) (41)
Conducting boron sheets formed by the reconstruction of the α-boron (111) surface. (2013) (38)
Novel structural motifs in low energy phases of LiAlH4. (2012) (37)
From mesoscale to nanoscale mechanics in single-wall carbon nanotubes (2017) (36)
From mesoscale to nanoscale mechanics in single-wall carbon nanotubes (2017) (36)
First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride. (2020) (35)
Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons. (2007) (35)
Comment on "Quantum confinement and electronic properties of silicon nanowires". (2005) (35)
Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation (2012) (34)
Estimating excitonic effects in the absorption spectra of solids: problems and insight from a guided iteration scheme. (2014) (33)
Energy dependence of the exchange-correlation kernel of time-dependent density functional theory: A simple model for solids (2005) (32)
Feedback mechanism for the stability of the band gap of CuInSe2 (2012) (30)
Low-energy polymeric phases of alanates. (2012) (30)
Roadmap on Machine learning in electronic structure (2022) (28)
Carbon structures and defect planes in diamond at high pressure (2013) (28)
Mechanism of surface passivation of methylammonium lead tribromide single crystals by benzylamine (2019) (28)
Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials. (2019) (28)
Radial collapse of carbon nanotubes for conductivity optimized polymer composites (2016) (27)
Stable hybrid organic–inorganic halide perovskites for photovoltaics from ab initio high-throughput calculations (2018) (26)
Predicting stable crystalline compounds using chemical similarity (2021) (26)
Crystal graph attention networks for the prediction of stable materials (2021) (26)
Predicting the stability of ternary intermetallics with density functional theory and machine learning. (2018) (26)
Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study (2017) (26)
Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study (2017) (26)
Raman activity of sp(3) carbon allotropes under pressure: A density functional theory study (2012) (25)
Ab Initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices. (2002) (25)
Accurate electronic and optical properties of hexagonal germanium for optoelectronic applications (2018) (24)
The ground state of two-dimensional silicon (2018) (23)
Excitonic effects in the optical properties of CdSe nanowires (2010) (23)
Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces (2008) (22)
Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation. (2015) (21)
Growth dynamics of hydrogenated silicon nanoparticles under realistic conditions of a plasma reactor (2006) (21)
Materials Design On-the-Fly. (2015) (21)
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids (2020) (21)
Atomic and electronic properties of quasi-one-dimensional MOS2 nanowires. (2013) (20)
Novel crystal structures for lithium–silicon alloy predicted by minima hopping method (2016) (20)
Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation (2015) (20)
Out-of-plane excitons in two-dimensional crystals (2019) (20)
Double perovskites as p-type conducting transparent semiconductors: a high-throughput search (2019) (20)
p doping in expanded phases of ZnO: an ab initio study. (2012) (20)
Structural prediction of two-dimensional materials under strain (2017) (19)
Ab initio and semiempirical dielectric response of superlattices (2004) (19)
Superconductivity in layered binary silicides: A density functional theory study (2011) (19)
Computational acceleration of prospective dopant discovery in cuprous iodide. (2019) (19)
Novel phases of lithium-aluminum binaries from first-principles structural search. (2015) (18)
Rare-earth magnetic nitride perovskites (2019) (18)
Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure. (2016) (17)
Local Hybrid Density Functional for Interfaces. (2018) (17)
First-principles predicted low-energy structures of NaSc(BH4)4. (2013) (17)
Prediction of a novel monoclinic carbon allotrope (2012) (16)
The crystal structure of p-type transparent conductive oxide CuBO2 (2013) (14)
Enhancing the superconducting transition temperature of BaSi2 by structural tuning. (2010) (14)
Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties (2017) (14)
Thermodynamic, electronic, and optical properties of graphene oxide: A statistical ab initio approach (2017) (13)
Electronic states and optical properties of GaAs/AlAs and GaAs/vacuum superlattices by the linear combination of bulk bands method (2001) (13)
Ab Initio Electronic Gaps of Ge Nanodots: The Role of Self-Energy Effects (2013) (13)
Structural prediction of stabilized atomically thin tin layers (2019) (13)
Local atomic order and optical properties in amorphous and laser-crystallized GeTe (2009) (12)
Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations (2014) (12)
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals. (2021) (12)
Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction (2018) (12)
Stable Ordered Phases of Cuprous Iodide with Complexes of Copper Vacancies (2019) (11)
Research Update: Stable single-phase Zn-rich Cu2ZnSnSe4 through In doping (2016) (11)
Investigation of new phases in the Ba-Si phase diagram under high pressure using ab initio structural search. (2016) (11)
Applications of Time-Dependent Density Functional Theory (2004) (10)
Prediction and Synthesis of a Non-Zintl Silicon Clathrate (2016) (10)
Topological Crystalline Insulator in a New Bi Semiconducting Phase (2016) (9)
Efficient strain-induced light emission in lonsdaleite germanium (2020) (8)
A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites (2021) (8)
Superconductivity in an expanded phase of ZnO: an ab initio study (2015) (7)
High-pressure phases of VO 2 from the combination of Raman scattering and ab initio structural search (2018) (7)
Direct insight into the structure-property relation of interfaces from constrained crystal structure prediction (2021) (6)
Novel two-dimensional silicon-carbon binaries by crystal structure prediction. (2020) (6)
Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential (2020) (6)
Unveiling Planar Defects in Hexagonal Group IV Materials (2021) (6)
Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations. (2011) (6)
Giant Optical Oscillator Strengths in Perturbed Hexagonal Germanium (2021) (5)
Structure and Optical Properties of Small (TiO2)n Nanoparticles, n = 21–24 (2017) (5)
A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals (2022) (5)
Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires (2021) (5)
A symmetry based approach to evaluation of carbon nanotube electronic hyperpolarizability (2004) (5)
Machine-learning correction to density-functional crystal structure optimization (2021) (5)
Detection of Cu2Zn5SnSe8 and Cu2Zn6SnSe9 phases in co-evaporated Cu2ZnSnSe4 thin-films (2015) (5)
On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy. (2019) (5)
Electronic Structure of Molecules, Surfaces, and Molecules on Surfaces with the Local Modified Becke-Johnson Exchange-Correlation Potential. (2021) (5)
The Microscopic Description of a Macroscopic Experiment (2012) (5)
Chemically Tunable Properties of Graphene Covered Simultaneously with Hydroxyl and Epoxy Groups (2017) (4)
Comment on "Topological insulators in ternary compounds with a honeycomb lattice". (2013) (4)
Alloying effects on the optical properties of Ge 1 − x Si x nanocrystals from time-dependent density functional theory and comparison with effective-medium theory (2009) (4)
On-site magnetization in open antiferromagnetic chains: A classical analysis versus NMR experiments in a spin-1 compound (2000) (4)
Halogen molecular modifications at high pressure: the case of iodine. (2021) (4)
Erratum: Band structures of delafossite transparent conductive oxides from a self-consistent GW approach [Phys. Rev. B 82, 085115 (2010)] (2011) (3)
Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods (2018) (3)
First-principles study of the band structure and optical absorption of CuGaS 2 (2011) (3)
Layered CuI: a path to 2D p-type transparent conducting materials (2021) (3)
Rigamonti et al. Reply. (2016) (3)
Electronic and Optical Properties of Small Metal Fluoride Clusters (2020) (3)
Energy Generation: Solar Energy (2013) (2)
Absorption mechanism of dopamine/DOPAC-modified TiO2 nanoparticles by time-dependent density functional theory calculations (2020) (2)
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys (2021) (2)
Direct-bandgap emission from hexagonal Ge and SiGe alloys (2020) (2)
Large-scale machine-learning-assisted exploration of the whole materials space (2022) (2)
A Global-Optimization Study of the Phase Diagram of Free-Standing Hydrogenated Two-Dimensional Silicon (2021) (2)
Publisher's Note: Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistentGWand the Bethe-Salpeter equation [Phys. Rev. B91, 075134 (2015)] (2016) (1)
Machine-learning-assisted determination of the global zero-temperature phase diagram of materials. (2023) (1)
Computational screening of materials with extreme gap deformation potentials (2022) (1)
A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals (2022) (1)
Point defects in hexagonal silicon (2021) (1)
Detection of Cu 2 Zn 5 SnSe 8 and Cu 2 Zn 6 SnSe 9 phases in co-evaporated Cu 2 ZnSnSe 4 thin-films (2015) (1)
Tests on Full-Scale Prototypical Passive Containment for SBWR's Application (1995) (1)
Light emission from direct bandgap hexagonal SiGe (2018) (1)
Semi-empirical and ab initio calculations of the optical properties of semiconductor superlattices (2002) (1)
Superconducting hydrogen tubes in hafnium hydrides at high pressure (2021) (1)
Erratum: Accurate electronic band gaps of two-dimensional materials from the local modified Becke-Johnson potential [Phys. Rev. B 101 , 245163 (2020)] (2020) (1)
Fullerene-Like CdSe Nanoparticles (2010) (1)
Superconductivity in S-rich phases of lanthanum sulfide under high pressure (2022) (1)
Atomic scale structure and its impact on the band gap energy for Cu2Zn(Sn,Ge)Se4 kesterite alloys (2020) (1)
Tests on Full-Scale Prototypical Passive Condensers for SBWR Application (1995) (1)
Confirmatory Tests on Full-Scale Condensers for the SBWR (1993) (1)
The effects of material properties and of operating conditions variations on the first wall lifetime of intor and demo fusion reactors (1984) (1)
Size-dependent optical absorption of Cu2ZnSn(Se,S)4 quantum dot sensitizers from ab initio many-body methods (2018) (0)
A method for displaying polarization couplings in an optical system having birefringence and its application in the assembly of the components of an optical system. (1988) (0)
Gaps of Ge Nanodots : The Role of Self-Energy E ff ects (2013) (0)
Dopant discovery in cuprous iodide (2019) (0)
The development of ever more advanced technologies depends very critically on the definitions of materials with appropriate characteristics. (2014) (0)
Lithium-Silicon crystal structure prediction by minima hopping method (2014) (0)
AB INITIO CALCULATIONS OF THE ANISOTROPIC DIELECTRIC TENSOR OF GaAs/AlAs HETEROSTRUCTURES (2002) (0)
Feasibility study on the experimentation of a Decay Heat Removal System (DHRS) for Lead Fast Reactors (LFR) (2014) (0)
Atomic scale insights into Cu2ZnSnSe4 thin-film solar cells (2013) (0)
Ab Initio Modeling of Optoelectronic Properties of Chalcopyrites and of their Point Defects (2008) (0)
Effects of hole doping on the electronic and optical properties of transparent conducting copper iodide (2022) (0)
Systematic Phase Diagram of LiSi and LiAl compounds from Minima Hopping Method (2014) (0)
The ENEA discharge produced plasma extreme ultraviolet source and its patterning applications (2019) (0)
The PANTHERS Test Program (1996) (0)
Light Emission from Direct Bandgap Hexagonal Silicon Germanium (2019) (0)
The dynamical Franz-Keldysh effect in the deep ultraviolet probed by transient absorption and dispersion of diamond using a miniature beamline (2022) (0)
Favorable band alignment for photocatalysis at the strontium germanate interface with silicon (2022) (0)
Prediction of a novel monoclinic carbon allotrope (2013) (0)
Bishop's hat silicene: a planar square silicon bilayer decorated with adatoms. (2021) (0)
Band lineup at hexagonal Si$_x$Ge$_{1-x}$/Si$_y$Ge$_{1-y}$ alloy interfaces (2022) (0)
Atom Probe study of Cu2ZnSnSe4 thin-film solar cells prepared by co-evaporation and post-deposition annealing (2013) (0)
Ab-initio studies of the Si ( 557 ) / Au and Si ( 553 ) / Au Reconstructions Sampsa Riikonen (2004) (0)
Identification of CdSe fullerene-based nanoparticles from optical spectroscopy calculations (2006) (0)
Towards a photonic band edge laser using hexagonal-SiGe nanowire arrays (Conference Presentation) (2020) (0)
Band alignment at the strontium germanate interface with silicon (2023) (0)
Correction to Prediction of Stable Nitride Perovskites (2015) (0)
Comment on "Towards direct-gap silicon phases by the inverse band structure design approach". (2014) (0)
Tests on a Full-Scale PCC Prototype for SBWR (1995) (0)
Defect levels from SCAN and MBJ meta-GGA exchange-correlation potentials (2021) (0)
Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal Si$_x$Ge$_{1-x}$ alloys (2022) (0)
Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2 (2023) (0)
On the Nano-scale Characterization of Thin-Film Solar Cells (2014) (0)
Electronic excitations in complex systems: beyond density functional theory for real materials (2010) (0)
Transition Matrix Element and Recombination Mechanism of Hexagonal SiGe (2020) (0)
Efficient Light Emission from Hexagonal SiGe (2021) (0)
Determination of the concentration of substances using the Cottrel equation (1995) (0)
Tests on Full Scale Prototypical Condensers for SBWR's Applications (1994) (0)
This paper is published as part of a PCCP Themed Issue on: Time-Dependent Density-Functional Theory (2009) (0)
Novel silicon allotropes for photovoltaic applications from ab initio structure prediction (2015) (0)
Reinterpretation of the band-structure of delafossite transparent conductive oxides: a self-consistent \GW study (2009) (0)
THE EUROPEAN PHYSICAL JOURNAL B Prediction of a novel monoclinic carbon allotrope (2013) (0)
polarization couplings method for detecting in an optical system and its application birefringent component assembly of an optical system (1987) (0)
A method for winding an optical fiber gyroscope and produced by this process fiber coil. (1986) (0)
Transfer learning on large datasets for the accurate prediction of material properties (2023) (0)
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study. (2022) (0)
Author's personal copy Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure (2014) (0)
Prediction and Characterization of Graphitic Structures at Diamond Grain Boundaries (2022) (0)
Tailoring functional interfaces with computer simulations (2023) (0)
Prediction of a reconstructed $\alpha$-boron (111) surface by the minima hopping method (2014) (0)
Optical properties of AgxCu1–xI alloy thin films (2023) (0)
Optical and Magnetic Properties of Boron Fullerenes (2009) (0)
Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic- Acid-Receptor-Related Orphan Receptor γt (2021) (0)
Novel structural motif in low energy phases of NaSc(BH4)4 (2013) (0)
Iodine molecule modifications with high pressure (2020) (0)
Prediction and Synthesis of a Non‐Zintl Silicon Clathrate. (2016) (0)
Novel Rare-Earth Magnetic Nitride Perovskites (2018) (0)
Towards a Hexagonal SiGe Semiconductor Laser (2020) (0)
Prediction of Stable Nitride Perovskites. (2015) (0)
Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural Prediction. (2015) (0)
Publisher's Note: "On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy" [J. Chem. Phys. 151, 161102 (2019)]. (2019) (0)

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What Schools Are Affiliated With Silvana Botti?

Silvana Botti is affiliated with the following schools: