Journal

Physical Review B

ISSN 1098-0121 · American Physical Society

OpenAlex S6791298

Published here

141 counted works of 143 linked

YearTitleAcademicsSources
2026 Vibrational angular momentum generation in thermally driven chiral systems Joseph Subotnik GS
2025 Ab initio polaron wave functions Joonho Lee GS
2025 Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates Timothy C Berkelbach GS
2025 Structure and dynamics of electron-phonon coupled systems using neural quantum states Joonho Lee GS
2024 Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory Timothy C Berkelbach GS
2023 Charge density wave generated Fermi surfaces in Leslie Schoop GS
2023 Competing generalized Wigner crystal states in moiré heterostructures Joonho Lee GS
2023 Conductivity of an electron coupled to anharmonic phonons: Quantum-classical simulations and comparison of approximations Timothy C Berkelbach GS
2023 : Phonon bands, localized flat-band magnetism, models, and chemical analysis Leslie Schoop GS
2023 Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics Joseph Subotnik CV GS
2022 Anharmonic lattice dynamics from vibrational dynamical mean-field theory Timothy C Berkelbach GS
2021 Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling Joseph Subotnik CV GS
2021 Complex magnetic phases enriched by charge density waves in the topological semimetals Leslie Schoop GS
2021 Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons Joonho Lee GS
2020 Anomalous Shubnikov-de Haas quantum oscillations in rare-earth tritelluride Leslie Schoop GS
2020 Deep neural network for the dielectric response of insulators Roberto Car GS
2020 Influence of Local Structures on the Energy Transfer Efficiencies of Quantum-Dot Films Ou Chen CV GS
2020 Simplified and improved approach to tensor network operators in two dimensions Matthew Coley-O'Rourke GS
2020 Systematic study of stacked square nets: From Dirac fermions to material realizations Leslie Schoop GS
2019 An integrated nanophotonic quantum register based on silicon-vacancy spins in diamond Hongkun Park GS
2019 Conversion of projected entangled pair states into a canonical form Matthew Coley-O'Rourke GS
2019 Coupled-cluster impurity solvers for dynamical mean-field theory Tianyu Zhu; Timothy C Berkelbach GS
2019 Generalization of the exponential basis for tensor network representations of long-range interactions in two and three dimensions Matthew Coley-O'Rourke GS
2019 Microstructural-defect-induced Dzyaloshinskii-Moriya interaction Yifan Quan GS
2018 Berry curvature dipole current in the transition metal dichalcogenides family Suyang Xu GS
2018 Efficient representation of long-range interactions in tensor network algorithms Matthew Coley-O'Rourke GS
2018 Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors Timothy C Berkelbach GS
2018 Magnetic and noncentrosymmetric Weyl fermion semimetals in the family of compounds () Suyang Xu GS
2018 Universality of electronic friction. II. Equivalence of the quantum-classical Liouville equation approach with von Oppen’s nonequilibrium Green’s function methods out of equilibrium Joseph Subotnik CV GS
2017 Dirac line nodes and effect of spin-orbit coupling in the nonsymmorphic critical semimetals Leslie Schoop GS
2017 Magnetotransport properties of the single-crystalline nodal-line semimetal candidates Suyang Xu GS
2017 Topological surface electronic states in candidate nodal-line semimetal CaAgAs Suyang Xu GS
2017 Universality of electronic friction: Equivalence of von Oppen's nonequilibrium Green's function approach and the Head-Gordon-Tully model at equilibrium Joseph Subotnik CV GS
2016 Drumhead surface states and topological nodal-line fermions in TlTaSe 2 Suyang Xu GS
2016 Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate Suyang Xu GS
2016 Many-electron expansion: A density functional hierarchy for strongly correlated systems Tianyu Zhu GS
2016 NMR technique for determining the depth of shallow nitrogen-vacancy centers in diamond Hongkun Park GS
2016 Observation of topological nodal fermion semimetal phase in ZrSiS Suyang Xu GS
2016 Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations Timothy C Berkelbach GS
2016 Superconducting properties in single crystals of the topological nodal semimetal related record Suyang Xu GS
2016 Superconducting properties in single crystals of the topological nodal semimetal Suyang Xu GS
2016 Topological Dirac surface states and superconducting pairing correlations in PbTaSe 2 Suyang Xu GS
2016 Ultrafast terahertz-field-driven ionic response in ferroelectric Andrew M. Rappe GS
2015 Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo Timothy C Berkelbach GS
2015 Breakdown of three-dimensional Dirac semimetal state in pressurized Leslie Schoop GS
2015 Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides Timothy C Berkelbach GS
2015 Dirac metal to topological metal transition at a structural phase change in and prediction of topology for the superconductor Leslie Schoop GS
2015 Dirac Metal to Topological Metal Transition at a Structural Phase Change in Au2Pb and Prediction of ℤ2 Topology for the Superconductor Lilia Xie CV OA GS
2015 Excitons in Ultrathin Organic-Inorganic Perovskite Crystals Jonathan S. Owen CV
2015 Fermi surface interconnectivity and topology in Weyl fermion semimetals TaAs, TaP, NbAs, and NbP Suyang Xu GS
2015 Three-Dimensional Dirac Semimetals: Design Principles and Predictions of New Materials Roberto Car; Leslie Schoop; Lilia Xie CV OA GS
2014 Analysis of the noise spectra from oxidized superparamagnetic nanoparticles Shouheng Sun CV OA
2014 Optical evidence of surface state suppression in Bi-based topological insulators Suyang Xu GS
2014 Paramagnetic to ferromagnetic phase transition in lightly Fe-doped Leslie Schoop GS
2013 Carrier-induced renormalization of vibrational frequencies in nanoscale junctions: Signatures of vibrational damping and heating Abraham Nitzan CV OA GS
2013 Designer Spin Systems via Inverse Statistical Mechanics Robert A. DiStasio Jr.; Salvatore Torquato CV OA GS
2013 Designer Spin Systems via Inverse Statistical Mechanics. II. Ground-State Enumeration and Classification Salvatore Torquato; Robert A. DiStasio Jr. CV OA GS
2013 Nearly Hyperuniform Network Models of Amorphous Silicon Salvatore Torquato CV OA GS
2013 Nontrivial spin texture of the coaxial Dirac cones on the surface of topological crystalline insulator SnTe Suyang Xu GS
2013 Optical Cavities and Waveguides in Hyperuniform Disordered Photonic Solids Salvatore Torquato CV OA GS
2013 Superconductivity in the Cu(IrPt)Se spinel Leslie Schoop GS
2013 Termination-dependent topological surface states of the natural superlattice phase BiSe Leslie Schoop GS
2013 Theory of neutral and charged excitons in monolayer transition metal dichalcogenides Timothy C Berkelbach GS
2012 Effect of pressure on superconductivity in NaAlSi Leslie Schoop GS
2012 Interplay between ferromagnetism, surface states, and quantum corrections in a magnetically doped topological insulator Suyang Xu GS
2012 Magnetic Fields Effects on the Electronic Conduction Properties of Molecular Ring Structures Abraham Nitzan CV OA GS
2012 Raman scattering from molecular conduction junctions: the charge transfer mechanism Abraham Nitzan CV OA GS
2012 Superconductivity and magnetism in RbFeSe under pressure Leslie Schoop GS
2012 Topological semimetal in a Bi-BiSe infinitely adaptive superlattice phase Leslie Schoop GS
2012 Topological surface states and Dirac point tuning in ternary topological insulators Suyang Xu GS
2012 Unified picture of cantilever frequency shift measurements of magnetic resonance John A. Marohn GS
2011 Lattice normal modes and electronic properties of the correlated metal LaNiO Andrew M. Rappe GS
2011 Post density functional theoretical studies of highly polar semiconductive Pb(TiNi)O solid solutions: Effects of cation arrangement on band gap Andrew M. Rappe GS
2011 Pressure-restored superconductivity in Cu-substituted FeSe Leslie Schoop GS
2011 Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an chain Timothy C Berkelbach GS
2011 Raman scattering from biased molecular conduction junctions: The electronic background and its temperature Abraham Nitzan CV OA GS
2011 Spin texture on the warped Dirac-cone surface states in topological insulators Suyang Xu GS
2011 Theoretical investigation of the evolution of the topological phase of BiSe under mechanical strain Andrew M. Rappe GS
2010 Coherent charge transport through molecular wires: Exciton blocking and current from electronic excitations in the wire Abraham Nitzan CV OA GS
2010 Correlations between tetragonality, polarization, and ionic displacement in -derived ferroelectric perovskite solid solutions Andrew M. Rappe GS
2010 Development of ferromagnetism in the doped topological insulator Suyang Xu GS
2010 Topological electronic structure in half-Heusler topological insulators Suyang Xu GS
2010 Topological electronic structure in half-Heusler topological insulators related record Suyang Xu GS
2009 Charge transfer excitons and image potential states on organic semiconductor surfaces Xiaoyang Zhu OA GS
2009 Complete Band Gaps in Two-Dimensional Photonic Quasicrystals Salvatore Torquato CV OA GS
2009 Cooling mechanisms in molecular conduction junctions Abraham Nitzan CV OA GS
2009 Effect of substituting of S for O: The sulfide perovskite investigated with density functional theory Andrew M. Rappe GS
2009 New Method for Obtaining Upper Bounds on Photonic Band Gaps Salvatore Torquato CV OA
2009 Order- implementation of exact exchange in extended insulating systems Roberto Car GS
2008 Dissipative two-electron transfer: A numerical renormalization group study Abraham Nitzan CV OA GS
2008 Inelastic transport in the Coulomb blockade regime within a nonequilibrium atomic limit Abraham Nitzan CV OA GS
2007 Heat conduction in molecular transport junctions Abraham Nitzan CV OA GS
2007 Inelastic effects in molecular junctions in the Coulomb and Kondo regimes: Nonequilibrium equation-of-motion approach. Abraham Nitzan CV OA GS
2007 Theory of light-induced current in molecular-tunneling junctions excited with intense shaped pulses Abraham Nitzan CV OA GS
2006 Crystalline particle packings on a sphere with long-range power-law potentials Angelo Cacciuto GS
2006 Current-induced nonequilibrium vibrations in single-molecule devices Abraham Nitzan CV OA GS
2006 Inelastic tunneling effects on noise properties of molecular junctions Abraham Nitzan CV OA GS
2006 Magneto-transport of magnetite nanoparticle arrays Shouheng Sun CV OA GS
2006 Molecular quantum well at the C 60 ∕ Au ( 111 ) interface Xiaoyang Zhu OA GS
2006 Resonant inelastic tunneling in molecular junctions Abraham Nitzan CV OA GS
2006 Tetratic Order in the Phase Behavior of a Hard-Rectangle System Salvatore Torquato CV OA GS
2005 Agglomeration and sintering in annealed FePt nanoparticle assemblies studied by small angle neutron scattering and x-ray diffraction Shouheng Sun CV OA
2005 Development of a bond-valence molecular-dynamics model for complex oxides Andrew M. Rappe GS
2005 Exciton dynamics at molecule-metal interfaces: C60∕Au(111) Xiaoyang Zhu OA GS
2005 Ferroelectricity in ultrathin perovskite films Andrew M. Rappe GS
2005 Interparticle magnetic correlations in self-assembled Co nanoparticles Shouheng Sun CV OA
2004 Composition dependent ratio of orbital to spin magnetic moment in structurally disordered FexPt1-x nanoparticles Shouheng Sun CV OA
2004 First-principles extrapolation method for accurate CO adsorption energies on metal surfaces Andrew M. Rappe GS
2004 Local structure and macroscopic properties in and solid solutions Andrew M. Rappe GS
2004 Oxide chemistry and local structure of PbZr x Ti 1− x O 3 studied by density-functional theory supercell calculations Andrew M. Rappe GS
2003 Plastic deformations in mechanically strained single-walled carbon nanotubes Hongkun Park GS
2002 s-d Hybridization and Evolution of the Electronic and Magnetic Properties in Small Co and Ni Clusters Lai-Sheng Wang CV
2001 n-alkyl thiol head-group interactions with the Au (111) surface Andrew M. Rappe GS
2000 Aluminum Cluster Anions: Photoelectron Spectroscopy and Ab-Initio Simulations Lai-Sheng Wang CV GS
2000 First-principles molecular-dynamics study of the (0001) surface Roberto Car GS
2000 Transferable relativistic dirac-slater pseudopotentials Andrew M. Rappe GS
2000 Virtual-crystal approximation that works: Locating a compositional phase boundary in Andrew M. Rappe GS
1999 Designed nonlocal pseudopotentials for enhanced transferability Andrew M. Rappe GS
1999 Photoelectron Spectra of Aluminum Cluster Anions: Temperature Effects and Ab Initio Simulations Lai-Sheng Wang CV GS
1998 Electric-Field Distribution in Composite Media Salvatore Torquato CV GS
1997 Electric Field Fluctuations in Random Dielectric Composites Salvatore Torquato CV GS
1997 Photoelectron Spectroscopy of Chromium Clusters: Observation of Even-Odd Alternations and Theoretical Interpretation Lai-Sheng Wang CV
1996 Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids Roberto Car GS
1996 Theory of Si 2p core-level shifts at the Si (001)-SiO 2 interface Roberto Car GS
1995 Model of vitreous SiO 2 generated by an ab initio molecular-dynamics quench from the melt Roberto Car GS
1995 Photoelectron Spectroscopy of Transition Metal Clusters: Correlation of Valence Electronic Structure to Reactivity Lai-Sheng Wang CV GS
1994 Acceleration schemes for ab initio molecular-dynamics simulations and electronic-structure calculations Roberto Car GS
1993 Ab initio studies on the structural and dynamical properties of ice Roberto Car GS
1993 Accurate theoretical analysis of photonic band-gap materials Andrew M. Rappe GS
1993 Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials Roberto Car GS
1993 Orbital formulation for electronic-structure calculations with linear system-size scaling Roberto Car GS
1991 Electromagnetic Bloch waves at the surface of a photonic crystal Andrew M. Rappe GS
1991 Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics Roberto Car GS
1991 Photonic bound states in periodic dielectric materials Andrew M. Rappe GS
1991 Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study Roberto Car GS
1990 Ab initio calculation of properties of carbon in the amorphous and liquid states Roberto Car GS
1990 Optimized pseudopotentials Andrew M. Rappe GS
1990 Role of photocurrent in low-temperature photoemission studies of Schottky-barrier formation Michael Hecht GS
1989 Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation Roberto Car GS
1986 Effective Properties of Two-Phase Disordered Composite Media: II. Evaluation of Bounds on the Conductivity and Bulk Modulus of Dispersions of Impenetrable Spheres Salvatore Torquato CV GS
1985 Electronic and structural properties of sodium clusters Roberto Car GS
1980 Photoemission from Yb: Valence-change-induced Fano resonance Michael Hecht GS
1980 Surface extended-x-ray-absorption-fine-structure study of oxygen interaction with Al (111) surfaces Michael Hecht GS