Journals · Demo University

Analytics Database

Search filters

Field Chemistry

Chemistry English Political Science

University any

All

Brown Columbia Cornell Dartmouth Harvard Penn Princeton Yale

Years all years

5y 10y All

Publication type 3 of 8

All

articles books edited volumes chapters conference papers reports reviews other works

Academic rank any

All

Works CV or Scholar

CV Scholar

Journal tier any

All

A* A B unranked

How a figure is made

Citation weight off, every journal counts 1. Change it

Department formula mean * log(1 + people). Change it

Back to the list

Journal

Physical Review B

Citation weight

TierA

Weight in force1×

Weightingoff

Weight inputs

Each figure with its percentile among the ranked journals. A is the median, over the academics with a work here, of that academic’s citations to the works this site counts for them - never a Google Scholar profile total. Over every academic of this field, all years, whatever the filters select.

A · academics’ median21,871.0 · 86%

B · citations per work190.6 · 75%

N · works141 · 79%

P · academics23 · 62%

Formula result1.177

From this institution

Under these filters. A work with no citation count is unknown here, never a zero.

Works141

Citations26,306 over 138 of 141 works

Citations per counted work190.6

Weighted citations—

Academics23

Departments7

First seen1980

Works placed per year

141 of these 141 works carry a year; an undated work is in no year. Works placed, under these filters.

Departments publishing there 7

Department	Works
Princeton Chemistry	50
Penn Chemistry	34
Harvard Chemistry	24
Columbia Chemistry	16
Brown Chemistry	15
Cornell Chemistry	3
Yale Chemistry	2

A work held by two departments counts once in each, so these add up to more than the works above.

Works placed there 141

Year	Title	Academics	Citations
1990	Optimized pseudopotentials	Andrew M. Rappe	3,098
1993	Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials	Roberto Car	1,778
2013	Theory of neutral and charged excitons in monolayer transition metal dichalcogenides	Timothy C Berkelbach	1,275
1993	Accurate theoretical analysis of photonic band-gap materials	Andrew M. Rappe	724
1991	Implementation of ultrasoft pseudopotentials in ab initio molecular dynamics	Roberto Car	655
2010	Development of ferromagnetism in the doped topological insulator	Suyang Xu	624
1993	Orbital formulation for electronic-structure calculations with linear system-size scaling	Roberto Car	557
1991	Electromagnetic Bloch waves at the surface of a photonic crystal	Andrew M. Rappe	499
1989	Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation	Roberto Car	495
1985	Electronic and structural properties of sodium clusters	Roberto Car	491
2016	Observation of topological nodal fermion semimetal phase in ZrSiS	Suyang Xu	457
2016	Drumhead surface states and topological nodal-line fermions in TlTaSe 2	Suyang Xu	401
2010	Topological electronic structure in half-Heusler topological insulators	Suyang Xu	367
2005	Ferroelectricity in ultrathin perovskite films	Andrew M. Rappe	365
1999	Photoelectron Spectra of Aluminum Cluster Anions: Temperature Effects and Ab Initio Simulations	Lai-Sheng Wang	344
1996	Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids	Roberto Car	338
2015	Three-Dimensional Dirac Semimetals: Design Principles and Predictions of New Materials	Leslie Schoop · Lilia Xie · Roberto Car	324
1991	Photonic bound states in periodic dielectric materials	Andrew M. Rappe	309
1990	Role of photocurrent in low-temperature photoemission studies of Schottky-barrier formation	Michael Hecht	308
1999	Designed nonlocal pseudopotentials for enhanced transferability	Andrew M. Rappe	304
2012	Topological surface states and Dirac point tuning in ternary topological insulators	Suyang Xu	303
2004	First-principles extrapolation method for accurate CO adsorption energies on metal surfaces	Andrew M. Rappe	291
2006	Resonant inelastic tunneling in molecular junctions	Abraham Nitzan	288
2007	Heat conduction in molecular transport junctions	Abraham Nitzan	281
2018	Magnetic and noncentrosymmetric Weyl fermion semimetals in the family of compounds ()	Suyang Xu	279
2019	An integrated nanophotonic quantum register based on silicon-vacancy spins in diamond	Hongkun Park	275
1991	Structural, bonding, dynamical, and electronic properties of liquid silicon: An ab initio molecular-dynamics study	Roberto Car	270
1990	Ab initio calculation of properties of carbon in the amorphous and liquid states	Roberto Car	270
1996	Theory of Si 2p core-level shifts at the Si (001)-SiO 2 interface	Roberto Car	266
1995	Model of vitreous SiO 2 generated by an ab initio molecular-dynamics quench from the melt	Roberto Car	253
2015	Fermi surface interconnectivity and topology in Weyl fermion semimetals TaAs, TaP, NbAs, and NbP	Suyang Xu	247
1993	Ab initio studies on the structural and dynamical properties of ice	Roberto Car	245
1994	Acceleration schemes for ab initio molecular-dynamics simulations and electronic-structure calculations	Roberto Car	236
2016	NMR technique for determining the depth of shallow nitrogen-vacancy centers in diamond	Hongkun Park	230
2000	Virtual-crystal approximation that works: Locating a compositional phase boundary in	Andrew M. Rappe	225
2018	Berry curvature dipole current in the transition metal dichalcogenides family	Suyang Xu	217
2006	Tetratic Order in the Phase Behavior of a Hard-Rectangle System	Salvatore Torquato	215
2017	Dirac line nodes and effect of spin-orbit coupling in the nonsymmorphic critical semimetals	Leslie Schoop	213
2012	Interplay between ferromagnetism, surface states, and quantum corrections in a magnetically doped topological insulator	Suyang Xu	207
2001	n-alkyl thiol head-group interactions with the Au (111) surface	Andrew M. Rappe	198
2009	Complete Band Gaps in Two-Dimensional Photonic Quasicrystals	Salvatore Torquato	190
2009	Order- implementation of exact exchange in extended insulating systems	Roberto Car	185
2000	First-principles molecular-dynamics study of the (0001) surface	Roberto Car	185
2020	Deep neural network for the dielectric response of insulators	Roberto Car	185
2006	Magneto-transport of magnetite nanoparticle arrays	Shouheng Sun	179
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	177
2011	Lattice normal modes and electronic properties of the correlated metal LaNiO	Andrew M. Rappe	172
2006	Current-induced nonequilibrium vibrations in single-molecule devices	Abraham Nitzan	167
2011	Theoretical investigation of the evolution of the topological phase of BiSe under mechanical strain	Andrew M. Rappe	166
2004	Local structure and macroscopic properties in and solid solutions	Andrew M. Rappe	160
2016	Topological Dirac surface states and superconducting pairing correlations in PbTaSe 2	Suyang Xu	158
2018	Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors	Timothy C Berkelbach	154
2016	Fermi arc electronic structure and Chern numbers in the type-II Weyl semimetal candidate	Suyang Xu	154
2009	Effect of substituting of S for O: The sulfide perovskite investigated with density functional theory	Andrew M. Rappe	154
2000	Aluminum Cluster Anions: Photoelectron Spectroscopy and Ab-Initio Simulations	Lai-Sheng Wang	153
2003	Plastic deformations in mechanically strained single-walled carbon nanotubes	Hongkun Park	140
2015	Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo	Timothy C Berkelbach	136
2016	Ultrafast terahertz-field-driven ionic response in ferroelectric	Andrew M. Rappe	136
2000	Transferable relativistic dirac-slater pseudopotentials	Andrew M. Rappe	134
2004	Oxide chemistry and local structure of PbZr x Ti 1− x O 3 studied by density-functional theory supercell calculations	Andrew M. Rappe	134
1980	Surface extended-x-ray-absorption-fine-structure study of oxygen interaction with Al (111) surfaces	Michael Hecht	124
2006	Inelastic tunneling effects on noise properties of molecular junctions	Abraham Nitzan	122
2016	Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations	Timothy C Berkelbach	119
2009	Cooling mechanisms in molecular conduction junctions	Abraham Nitzan	118
2005	Development of a bond-valence molecular-dynamics model for complex oxides	Andrew M. Rappe	116
2010	Correlations between tetragonality, polarization, and ionic displacement in -derived ferroelectric perovskite solid solutions	Andrew M. Rappe	115
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	112
2017	Topological surface electronic states in candidate nodal-line semimetal CaAgAs	Suyang Xu	111
1995	Photoelectron Spectroscopy of Transition Metal Clusters: Correlation of Valence Electronic Structure to Reactivity	Lai-Sheng Wang	109
2015	Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides	Timothy C Berkelbach	107
2007	Inelastic effects in molecular junctions in the Coulomb and Kondo regimes: Nonequilibrium equation-of-motion approach.	Abraham Nitzan	107
2013	Optical Cavities and Waveguides in Hyperuniform Disordered Photonic Solids	Salvatore Torquato	105
2006	Crystalline particle packings on a sphere with long-range power-law potentials	Angelo Cacciuto	104
1980	Photoemission from Yb: Valence-change-induced Fano resonance	Michael Hecht	103
2011	Spin texture on the warped Dirac-cone surface states in topological insulators	Suyang Xu	102
2013	Nontrivial spin texture of the coaxial Dirac cones on the surface of topological crystalline insulator SnTe	Suyang Xu	95
2017	Magnetotransport properties of the single-crystalline nodal-line semimetal candidates	Suyang Xu	94
2012	Topological semimetal in a Bi-BiSe infinitely adaptive superlattice phase	Leslie Schoop	90
2014	Optical evidence of surface state suppression in Bi-based topological insulators	Suyang Xu	89
2015	Dirac Metal to Topological Metal Transition at a Structural Phase Change in Au2Pb and Prediction of ℤ2 Topology for the Superconductor	Lilia Xie	88
2013	Nearly Hyperuniform Network Models of Amorphous Silicon	Salvatore Torquato	88
2015	Dirac metal to topological metal transition at a structural phase change in and prediction of topology for the superconductor	Leslie Schoop	88
2016	Superconducting properties in single crystals of the topological nodal semimetal	Suyang Xu	86
2012	Magnetic Fields Effects on the Electronic Conduction Properties of Molecular Ring Structures	Abraham Nitzan	83
2007	Theory of light-induced current in molecular-tunneling junctions excited with intense shaped pulses	Abraham Nitzan	82
1997	Electric Field Fluctuations in Random Dielectric Composites	Salvatore Torquato	82
2013	Termination-dependent topological surface states of the natural superlattice phase BiSe	Leslie Schoop	82
2019	Coupled-cluster impurity solvers for dynamical mean-field theory	Tianyu Zhu · Timothy C Berkelbach	81
2005	Exciton dynamics at molecule-metal interfaces: C60∕Au(111)	Xiaoyang Zhu	79
2008	Inelastic transport in the Coulomb blockade regime within a nonequilibrium atomic limit	Abraham Nitzan	75
2019	Conversion of projected entangled pair states into a canonical form	Matthew Coley-O'Rourke	69
2020	Systematic study of stacked square nets: From Dirac fermions to material realizations	Leslie Schoop	61
2015	Breakdown of three-dimensional Dirac semimetal state in pressurized	Leslie Schoop	59
2023	: Phonon bands, localized flat-band magnetism, models, and chemical analysis	Leslie Schoop	56
2009	Charge transfer excitons and image potential states on organic semiconductor surfaces	Xiaoyang Zhu	51
2004	Composition dependent ratio of orbital to spin magnetic moment in structurally disordered FexPt1-x nanoparticles	Shouheng Sun	49
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	48
2013	Carrier-induced renormalization of vibrational frequencies in nanoscale junctions: Signatures of vibrational damping and heating	Abraham Nitzan	47
2019	Microstructural-defect-induced Dzyaloshinskii-Moriya interaction	Yifan Quan	43
1998	Electric-Field Distribution in Composite Media	Salvatore Torquato	43
2005	Agglomeration and sintering in annealed FePt nanoparticle assemblies studied by small angle neutron scattering and x-ray diffraction	Shouheng Sun	41
2023	Total angular momentum conservation in ab initio Born-Oppenheimer molecular dynamics	Joseph Subotnik	41
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	41
2012	Superconductivity and magnetism in RbFeSe under pressure	Leslie Schoop	40
2011	Raman scattering from biased molecular conduction junctions: The electronic background and its temperature	Abraham Nitzan	39
2021	Complex magnetic phases enriched by charge density waves in the topological semimetals	Leslie Schoop	39
2013	Superconductivity in the Cu(IrPt)Se spinel	Leslie Schoop	38
2005	Interparticle magnetic correlations in self-assembled Co nanoparticles	Shouheng Sun	37
2006	Molecular quantum well at the C 60 ∕ Au ( 111 ) interface	Xiaoyang Zhu	36
2011	Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an chain	Timothy C Berkelbach	35
2012	Raman scattering from molecular conduction junctions: the charge transfer mechanism	Abraham Nitzan	34
2008	Dissipative two-electron transfer: A numerical renormalization group study	Abraham Nitzan	32
2011	Pressure-restored superconductivity in Cu-substituted FeSe	Leslie Schoop	30
2021	Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons	Joonho Lee	27
2010	Coherent charge transport through molecular wires: Exciton blocking and current from electronic excitations in the wire	Abraham Nitzan	27
2023	Charge density wave generated Fermi surfaces in	Leslie Schoop	27
2014	Paramagnetic to ferromagnetic phase transition in lightly Fe-doped	Leslie Schoop	26
2012	Effect of pressure on superconductivity in NaAlSi	Leslie Schoop	24
2021	Antisymmetric Berry frictional force at equilibrium in the presence of spin-orbit coupling	Joseph Subotnik	24
2020	Anomalous Shubnikov-de Haas quantum oscillations in rare-earth tritelluride	Leslie Schoop	23
2016	Many-electron expansion: A density functional hierarchy for strongly correlated systems	Tianyu Zhu	23
2018	Efficient representation of long-range interactions in tensor network algorithms	Matthew Coley-O'Rourke	20
2013	Designer Spin Systems via Inverse Statistical Mechanics	Robert A. DiStasio Jr. · Salvatore Torquato	20
2012	Unified picture of cantilever frequency shift measurements of magnetic resonance	John A. Marohn	19
2020	Simplified and improved approach to tensor network operators in two dimensions	Matthew Coley-O'Rourke	16
2019	Generalization of the exponential basis for tensor network representations of long-range interactions in two and three dimensions	Matthew Coley-O'Rourke	16
2023	Conductivity of an electron coupled to anharmonic phonons: Quantum-classical simulations and comparison of approximations	Timothy C Berkelbach	16
2023	Competing generalized Wigner crystal states in moiré heterostructures	Joonho Lee	16
2025	Structure and dynamics of electron-phonon coupled systems using neural quantum states	Joonho Lee	10
2020	Influence of Local Structures on the Energy Transfer Efficiencies of Quantum-Dot Films	Ou Chen	9
2025	Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates	Timothy C Berkelbach	9
2022	Anharmonic lattice dynamics from vibrational dynamical mean-field theory	Timothy C Berkelbach	9
2024	Nonperturbative simulation of anharmonic rattler dynamics in type-I clathrates with vibrational dynamical mean-field theory	Timothy C Berkelbach	9
2013	Designer Spin Systems via Inverse Statistical Mechanics. II. Ground-State Enumeration and Classiﬁcation	Robert A. DiStasio Jr. · Salvatore Torquato	9
2009	New Method for Obtaining Upper Bounds on Photonic Band Gaps	Salvatore Torquato	9
2025	Ab initio polaron wave functions	Joonho Lee	6
2014	Analysis of the noise spectra from oxidized superparamagnetic nanoparticles	Shouheng Sun	5
2026	Vibrational angular momentum generation in thermally driven chiral systems	Joseph Subotnik	1
1997	Photoelectron Spectroscopy of Chromium Clusters: Observation of Even-Odd Alternations and Theoretical Interpretation	Lai-Sheng Wang	—
2002	s-d Hybridization and Evolution of the Electronic and Magnetic Properties in Small Co and Ni Clusters	Lai-Sheng Wang	—
2015	Excitons in Ultrathin Organic-Inorganic Perovskite Crystals	Jonathan S. Owen	—

Citations as counted, before any journal weight: 138 of these 141 works carry a count, and a work with no count is unknown, never a zero.