Norman Tubman
Norman Tubman
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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
Heat-bath configuration interaction: An efficient selected configuration interaction algorithm inspired by heat-bath sampling
AA Holmes, NM Tubman, CJ Umrigar
Journal of chemical theory and computation 12 (8), 3674-3680, 2016
A deterministic alternative to the full configuration interaction quantum Monte Carlo method
NM Tubman, J Lee, TY Takeshita, M Head-Gordon, KB Whaley
The Journal of chemical physics 145 (4), 2016
QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids
J Kim, AD Baczewski, TD Beaudet, A Benali, MC Bennett, MA Berrill, ...
Journal of Physics: Condensed Matter 30 (19), 195901, 2018
Modern approaches to exact diagonalization and selected configuration interaction with the adaptive sampling CI method
NM Tubman, CD Freeman, DS Levine, D Hait, M Head-Gordon, ...
Journal of chemical theory and computation 16 (4), 2139-2159, 2020
Observation of separated dynamics of charge and spin in the fermi-hubbard model
F Arute, K Arya, R Babbush, D Bacon, JC Bardin, R Barends, A Bengtsson, ...
arXiv preprint arXiv:2010.07965, 2020
The ground state electronic energy of benzene
JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ...
The journal of physical chemistry letters 11 (20), 8922-8929, 2020
CASSCF with extremely large active spaces using the adaptive sampling configuration interaction method
DS Levine, D Hait, NM Tubman, S Lehtola, KB Whaley, M Head-Gordon
Journal of chemical theory and computation 16 (4), 2340-2354, 2020
Theory of Finite Size Effects for Electronic Quantum Monte Carlo Calculations of Liquids and Solids
M Holzmann, RC Clay III, MA Morales, NM Tubman, DM Ceperley, ...
Physical Review B. 94, 035126, 2016
Phase diagram of the Z 3 parafermionic chain with chiral interactions
Y Zhuang, HJ Changlani, NM Tubman, TL Hughes
Physical Review B 92 (3), 035154, 2015
Optimizing quantum heuristics with meta-learning
M Wilson, R Stromswold, F Wudarski, S Hadfield, NM Tubman, EG Rieffel
Quantum Machine Intelligence 3, 1-14, 2021
Renyi entropy of the interacting Fermi liquid
J McMinis, NM Tubman
Physical Review B 87 (8), 081108, 2013
Real-time evolution for ultracompact hamiltonian eigenstates on quantum hardware
K Klymko, C Mejuto-Zaera, SJ Cotton, F Wudarski, M Urbanek, D Hait, ...
PRX Quantum 3 (2), 020323, 2022
Postponing the orthogonality catastrophe: efficient state preparation for electronic structure simulations on quantum devices
NM Tubman, C Mejuto-Zaera, JM Epstein, D Hait, DS Levine, W Huggins, ...
arXiv preprint arXiv:1809.05523, 2018
What levels of coupled cluster theory are appropriate for transition metal systems? A study using near-exact quantum chemical values for 3d transition metal binary compounds
D Hait, NM Tubman, DS Levine, KB Whaley, M Head-Gordon
Journal of chemical theory and computation 15 (10), 5370-5385, 2019
Molecular-atomic transition along the deuterium Hugoniot curve with coupled electron-ion Monte Carlo simulations
NM Tubman, E Liberatore, C Pierleoni, M Holzmann, DM Ceperley
Physical review letters 115 (4), 045301, 2015
An efficient deterministic perturbation theory for selected configuration interaction methods
NM Tubman, DS Levine, D Hait, M Head-Gordon, KB Whaley
arXiv preprint arXiv:1808.02049, 2018
Beyond the Born-Oppenheimer approximation with quantum Monte Carlo methods
NM Tubman, I Kylänpää, S Hammes-Schiffer, DM Ceperley
Physical Review A 90 (4), 042507, 2014
Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation
S Lehtola, NM Tubman, KB Whaley, M Head-Gordon
The Journal of chemical physics 147 (15), 2017
Efficient hybridization fitting for dynamical mean-field theory via semi-definite relaxation
C Mejuto-Zaera, L Zepeda-Núñez, M Lindsey, N Tubman, B Whaley, L Lin
Physical Review B 101 (3), 035143, 2020
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