Standout Papers
Citation Impact
Citing Papers
Thermodynamical Liquid-Glass Transition in a Lennard-Jones Binary Mixture
2000 StandoutNobel
Phase-Separation Perspective on Dynamic Heterogeneities in Glass-Forming Liquids
2010 StandoutNobel
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
2009
Enhancing Gas Adsorption and Separation Capacity through Ligand Functionalization of Microporous Metal–Organic Framework Structures
2011
Magnetic control of ferroelectric polarization
2003 StandoutNature
Redshift in the Optical Absorption of ZnO Single Crystals in the Presence of an Intense Midinfrared Laser Field
2011 StandoutNobel
Machine learning for molecular and materials science
2018 StandoutNature
Geometric Approach to the Dynamic Glass Transition
2002 StandoutNobel
Amine-linked single-molecule circuits: systematic trends across molecular families
2008
Forming Aromatic Hemispheres on Transition‐Metal Surfaces
2007
Superconductivity in diamond
2004 StandoutNatureNobel
Multiferroic and magnetoelectric materials
2006 StandoutNature
Phonon interpretation of the ‘boson peak’ in supercooled liquids
2003 StandoutNatureNobel
Imaging ultrafast molecular dynamics with laser-induced electron diffraction
2012 StandoutNatureNobel
Quantum computers
2010 StandoutNature
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
2015 StandoutNature
Electric polarization reversal and memory in a multiferroic material induced by magnetic fields
2004 StandoutNature
Probing Time-Dependent Molecular Dipoles on the Attosecond Time Scale
2013 StandoutNobel
Atomically precise bottom-up fabrication of graphene nanoribbons
2010 StandoutNature
Off-Equilibrium Effective Temperature in Monatomic Lennard-Jones Glass
2000 StandoutNobel
Ionic high-pressure form of elemental boron
2009 Nature
Unusual Behavior of the Ferroelectric Polarization inPbTiO 3 / SrTiO 3
2005
Relation between Heterogeneous Frozen Regions in Supercooled Liquids and Non-Debye Spectrum in the Corresponding Glasses
2019 StandoutNobel
Energetics and Dynamics ofH 2
2009
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
Topological Description of the Aging Dynamics in Simple Glasses
2001 StandoutNobel
Strategies for Hydrogen Storage in Metal–Organic Frameworks
2005 StandoutNobel
A roadmap for graphene
2012 StandoutNatureNobel
Soft-sphere model for the glass transition in binary alloys: Pair structure and self-diffusion
1987
Van der Waals density functional: An appropriate exchange functional
2010
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Electronic structure and electron-phonon coupling of doped graphene layers inKC 8
2009
Selective Synthesis of TbMn2O5 Nanorods and TbMnO3 Micron Crystals
2006 StandoutNobel
Physics of thin-film ferroelectric oxides
2005 Standout
The phonon dispersion of graphite revisited
2004
Electron-phonon coupling inC 60
2010
Epitaxial BiFeO 3 Multiferroic Thin Film Heterostructures
2003 StandoutScience
Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors: Results for zinc-blende GaN
2016
Electronic structure of wurtzite ZnO: Nonlocal pseudopotential and ab initio calculations
2007
Single-Molecule Junctions Based on Nitrile-Terminated Biphenyls: A Promising New Anchoring Group
2010 StandoutNobel
Femtosecond electron diffraction: heralding the era of atomically resolved dynamics
2011
Electron-phonon interactions from first principles
2017 Standout
Enhancement of Ferroelectricity in Strained BaTiO 3 Thin Films
2004 StandoutScience
Simultaneous Imaging of Individual Molecules Aligned Both Parallel and Perpendicular to the Optic Axis
1998 StandoutNobel
First-principles calculation of the band offset atB a O / B a T i O 3 S r O / S r T i O 3
2003
Off-Equilibrium Fluctuation-Dissipation Relation in Fragile Glasses
1997 StandoutNobel
Describing static correlation in bond dissociation by Kohn–Sham density functional theory
2005
A fast and robust algorithm for Bader decomposition of charge density
2005 Standout
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
First-principles study of the rotational transitions of H2 physisorbed over benzene
2004
Ab initiocalculation of ideal strength and phonon instability of graphene under tension
2007
More accurate generalized gradient approximation for solids
2006 Standout
Pressure induced amorphization of materials
1996
Structure and Dynamics in Solids As Probed by Optical Spectroscopy
1996 StandoutNobel
Stability and Electronic Properties of Atomistically-Engineered 2D Boron Sheets
2007
Ab initiotheory of magnetic-field-induced odd-frequency two-band superconductivity inMgB 2
2015
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
2013 Standout
Single-Molecule Circuits with Well-Defined Molecular Conductance
2006
Lennard-Jones binary mixture: A thermodynamical approach to glass transition
2000 StandoutNobel
Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
1994 Standout
wannier90: A tool for obtaining maximally-localised Wannier functions
2007 Standout
Spin glasses and fragile glasses: Statics, dynamics, and complexity
2006 StandoutNobel
Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene
2008 StandoutScience
Multiferroic BaTiO 3 -CoFe 2 O 4 Nanostructures
2004 StandoutScience
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
2007
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
2015 StandoutScience
Higher-accuracy van der Waals density functional
2010 Standout
Nonlinear electron dynamics in metal clusters
2000
Phonons and related crystal properties from density-functional perturbation theory
2001 Standout
Applications of Modern Ferroelectrics
2007 StandoutScience
Projector augmented-wave approach to density-functional perturbation theory
2006
Effect of spin-orbit coupling on the electron-phonon interaction of the superconductors Pb and Tl
2010
Generalized Gradient Approximation Made Simple
1996 Standout
Superconductivity in Boron
2001 Science
Exploring approximations to theG W
2015
Comparing the weighted density approximation with the LDA and GGA for ground-state properties of ferroelectric perovskites
2004
The relationship between liquid, supercooled and glassy water
1998 StandoutNature
Investigation of Exchange Energy Density Functional Accuracy for Interacting Molecules
2009
Systematic treatment of displacements, strains, and electric fields in density-functional perturbation theory
2005
Switchable Ferroelectric Diode and Photovoltaic Effect in BiFeO 3
2009 StandoutScience
Isotope effects on the optical spectra of semiconductors
2005
Static dielectric response of the electron gas
1994
Cumulant expansion for phonon contributions to the electron spectral function
2014
Probing Single Molecules and Single Nanoparticles by Surface-Enhanced Raman Scattering
1997 StandoutScience
The properties of hydrogen and helium under extreme conditions
2012
Phonon band structure and interatomic force constants for bismuth: Crucial role of spin-orbit interaction
2007
Bond particle model for semiconductor melts and its application to the liquid structure of germanium
1989
Na3MnZr(PO4)3: A High-Voltage Cathode for Sodium Batteries
2018 StandoutNobel
The electronic properties of graphene
2009 StandoutNobel
Works of G. Zérah being referenced
Effect of Intense Laser Irradiation on the Lattice Stability of Semiconductors and Metals
2006
Ab-Initio Simulations of the Optical Properties of Warm Dense Gold
2005
Ground-state properties of metallic lithium
1989
How reliable are integral equations for the pair structure of binary fluid mixtures?
1985
Self-consistent integral equations for fluid pair distribution functions: Another attempt
1986
Thomas-Fermi molecular-dynamics, linear screening, and mean-field theories of plasmas
1992
Formation enthalpies of monovacancies in aluminum and gold under the condition of intense laser irradiation
2007
High-pressure lattice dynamics and thermodynamic properties of Th: Anab initiostudy of phonon dispersion curves
2006
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
2007
Thomas-Fermi molecular dynamics
1992
First-principles computation of material properties: the ABINIT software project
2002 Standout
Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead
2008
Lattice Dynamics of Icosahedralα
1997