David B. Williams-Young

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Xiaosong LiLarry R. Dalton Endowed Chair in Chemistry, University of Washington, Seattle, WAAdresse e-mail validée de uw.edu
Chao YangLawrence Berkeley National LaboratoryAdresse e-mail validée de lbl.gov
Shichao SunUniversity of California, IrvineAdresse e-mail validée de uci.edu
Torin F. StetinaSenior Scientist, Xanadu Quantum TechnologiesAdresse e-mail validée de xanadu.ai
Alessio PetroneAssociate Professor, University of Napoli Federico IIAdresse e-mail validée de unina.it
Bert de JongLawrence Berkeley National LaboratoryAdresse e-mail validée de lbl.gov
Edward ValeevVirginia TechAdresse e-mail validée de vt.edu
Joseph M. KasperLos Alamos National LaboratoryAdresse e-mail validée de lanl.gov
Patrick J LestrangeUniversity of WashingtonAdresse e-mail validée de uw.edu
Theresa L. WindusDistinguished Professor of Chemistry at Iowa State University; Senior Scientist at Ames National LabAdresse e-mail validée de iastate.edu
Norman TubmanNASA AmesAdresse e-mail validée de u.northwestern.edu
Daniel R. NascimentoThe University of MemphisAdresse e-mail validée de memphis.edu
A. Eugene DePrince IIIFlorida State UniversityAdresse e-mail validée de chem.fsu.edu
David LingerfeltOak Ridge National LaboratoryAdresse e-mail validée de ornl.gov
Roel Van BeeumenLawrence Berkeley National LaboratoryAdresse e-mail validée de lbl.gov
Karol KowalskiPacific Northwest National LaboratoryAdresse e-mail validée de pnnl.gov
Ryan M. RichardIowa State UniversityAdresse e-mail validée de iastate.edu
Joshua J GoingsIonQAdresse e-mail validée de ionq.co
Hubertus Johannes Jacobus van DamBrookhaven National LaboratoryAdresse e-mail validée de bnl.gov
Chad E. HoyerAssistant Professor of Chemistry, University of Texas at El PasoAdresse e-mail validée de utep.edu

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David B. Williams-Young

Principal Quantum Software Engineer, Microsoft Azure Quantum

Adresse e-mail validée de microsoft.com - Page d'accueil

High Performance Computing Electronic Structure Theory Numerical Linear Algebra


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
Gaussian 16, Rev. C. 01; Gaussian J Millam, M Klene, C Adamo, R Cammi, J Ochterski, R Martin, ... Inc.: Wallingford, CT, USA, 2016	175*	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	114	2020
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	68	2021
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	66	2018
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	59	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	51	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	49	2018
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	48	2016
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	35	2019
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	33	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	31	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	30	2017
A perspective on sustainable computational chemistry software development and integration R Di Felice, ML Mayes, RM Richard, DB Williams-Young, GKL Chan, ... Journal of chemical theory and computation 19 (20), 7056-7076, 2023	28	2023
On the efficient evaluation of the exchange correlation potential on graphics processing unit clusters DB Williams-Young, WA De Jong, HJJ Van Dam, C Yang Frontiers in chemistry 8, 581058, 2020	25	2020
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	24	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	24	2017
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	24	2016
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	22	2016
The effect of geometry, spin, and orbital optimization in achieving accurate, correlated results for iron–sulfur cubanes C Mejuto-Zaera, D Tzeli, D Williams-Young, NM Tubman, M Matousek, ... Journal of chemical theory and computation 18 (2), 687-702, 2022	19	2022
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	19	2018

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