David B. Williams-Young

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Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WAVerifierad e-postadress på uw.edu
Chao YangLawrence Berkeley National LaboratoryVerifierad e-postadress på lbl.gov
Shichao SunUniversity of California, IrvineVerifierad e-postadress på uci.edu
Alessio PetroneAssistant Professor (RTD-B, tenure-track) , University of Napoli Federico IIVerifierad e-postadress på unina.it
Torin F. StetinaPostdoctoral Fellow, Simons Institute for the Theory of Computing, University of CaliforniaVerifierad e-postadress på berkeley.edu
Bert de JongLawrence Berkeley National LaboratoryVerifierad e-postadress på lbl.gov
Patrick J LestrangeUniversity of WashingtonVerifierad e-postadress på uw.edu
Edward ValeevVirginia TechVerifierad e-postadress på vt.edu
Joseph M. KasperLos Alamos National LaboratoryVerifierad e-postadress på lanl.gov
Daniel R. NascimentoThe University of MemphisVerifierad e-postadress på memphis.edu
A. Eugene DePrince IIIFlorida State UniversityVerifierad e-postadress på chem.fsu.edu
David LingerfeltOak Ridge National LaboratoryVerifierad e-postadress på ornl.gov
Norman TubmanNASA AmesVerifierad e-postadress på u.northwestern.edu
Theresa L. WindusDistinguished Professor of Chemistry at Iowa State University; Senior Scientist at Ames National LabVerifierad e-postadress på iastate.edu
Roel Van BeeumenLawrence Berkeley National LaboratoryVerifierad e-postadress på lbl.gov
Karol KowalskiPacific Northwest National LaboratoryVerifierad e-postadress på pnnl.gov
Joshua J GoingsIonQVerifierad e-postadress på ionq.co
Chad E. HoyerResearch Scientist, University of WashingtonVerifierad e-postadress på uw.edu
Hubertus Johannes Jacobus van DamBrookhaven National LaboratoryVerifierad e-postadress på bnl.gov
Michael J. FrischGaussian, Inc.Verifierad e-postadress på gaussian.com

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David B. Williams-Young

Research Scientist, Lawrence Berkeley National Lab

Verifierad e-postadress på lbl.gov - Startsida

High Performance Computing Electronic Structure Theory Numerical Linear Algebra


Titel Sortera efter citat Sortera efter år Sortera efter titel	Citeras av Citeras av	År
Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016	25634*	2016
The Chronus quantum software package DB Williams‐Young, A Petrone, S Sun, TF Stetina, P Lestrange, CE Hoyer, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (2), e1436, 2020	88*	2020
An efficient implementation of two-component relativistic density functional theory with torque-free auxiliary variables A Petrone, DB Williams-Young, S Sun, TF Stetina, X Li The European Physical Journal B 91, 1-14, 2018	60	2018
From NWChem to NWChemEx: Evolving with the computational chemistry landscape K Kowalski, R Bair, NP Bauman, JS Boschen, EJ Bylaska, J Daily, ... Chemical reviews 121 (8), 4962-4998, 2021	52	2021
Relativistic real-time time-dependent equation-of-motion coupled-cluster LN Koulias, DB Williams-Young, DR Nascimento, AE DePrince III, X Li Journal of chemical theory and computation 15 (12), 6617-6624, 2019	49	2019
Direct ab Initio (Meta-)Surface-Hopping Dynamics DB Lingerfelt, DB Williams-Young, A Petrone, X Li Journal of Chemical Theory and Computation 12 (3), 935-945, 2016	47	2016
Ab initio transient vibrational spectral analysis A Petrone, DB Lingerfelt, DB Williams-Young, X Li The journal of physical chemistry letters 7 (22), 4501-4508, 2016	43	2016
Generalized Hartree–Fock with nonperturbative treatment of strong magnetic fields: Application to molecular spin phase transitions S Sun, DB Williams-Young, TF Stetina, X Li Journal of Chemical Theory and Computation 15 (1), 348-356, 2018	39	2018
An ab initio linear response method for computing magnetic circular dichroism spectra with nonperturbative treatment of magnetic field S Sun, D Williams-Young, X Li Journal of Chemical Theory and Computation 15 (5), 3162-3169, 2019	30	2019
Effective inclusion of mechanical and electrical anharmonicity in excited electronic states: VPT2-TDDFT route F Egidi, DB Williams-Young, A Baiardi, J Bloino, G Scalmani, MJ Frisch, ... Journal of chemical theory and computation 13 (6), 2789-2803, 2017	29	2017
Accurate assignments of excited-state resonance Raman spectra: A benchmark study combining experiment and theory MS Barclay, TJ Quincy, DB Williams-Young, M Caricato, CG Elles The Journal of Physical Chemistry A 121 (41), 7937-7946, 2017	28	2017
Simulating magnetic circular dichroism spectra with real-time time-dependent density functional theory in gauge including atomic orbitals S Sun, RA Beck, D Williams-Young, X Li Journal of Chemical Theory and Computation 15 (12), 6824-6831, 2019	24	2019
Accelerating real-time time-dependent density functional theory with a nonrecursive Chebyshev expansion of the quantum propagator D Williams-Young, JJ Goings, X Li Journal of chemical theory and computation 12 (11), 5333-5338, 2016	23	2016
Approximate Green’s function coupled cluster method employing effective dimension reduction B Peng, R Van Beeumen, DB Williams-Young, K Kowalski, C Yang Journal of chemical theory and computation 15 (5), 3185-3196, 2019	20	2019
Ab initio excited-state transient Raman analysis A Petrone, DB Williams-Young, DB Lingerfelt, X Li The Journal of Physical Chemistry A 121 (20), 3958-3965, 2017	20	2017
Relativistic two-component particle–particle Tamm–Dancoff approximation D Williams-Young, F Egidi, X Li Journal of Chemical Theory and Computation 12 (11), 5379-5384, 2016	20	2016
A well-tempered hybrid method for solving challenging time-dependent density functional theory (TDDFT) systems JM Kasper, DB Williams-Young, E Vecharynski, C Yang, X Li Journal of Chemical Theory and Computation 14 (4), 2034-2041, 2018	18	2018
Modeling magneto‐Photoabsorption using time‐dependent complex generalized Hartree‐Fock TF Stetina, S Sun, DB Williams‐Young, X Li ChemPhotoChem 3 (9), 739-746, 2019	17	2019
Efficient implementation of variation after projection generalized Hartree–Fock PJ Lestrange, DB Williams-Young, A Petrone, CA Jiménez-Hoyos, X Li Journal of Chemical Theory and Computation 14 (2), 588-596, 2018	17	2018
Model order reduction algorithm for estimating the absorption spectrum R Van Beeumen, DB Williams-Young, JM Kasper, C Yang, EG Ng, X Li Journal of chemical theory and computation 13 (10), 4950-4961, 2017	17	2017

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