オープン アクセスを義務付けられた論文 - Norman Tubman詳細
一般には非公開: 1 件
21 Development of QMCPACK for Exascale Scientific Computing
A Benali, DM Ceperley, E D’Azevedo, M Dewing, PRC Kent, J Kim, ...
委任: US National Science Foundation, US Department of Energy
一般公開: 35 件
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
委任: US National Science Foundation, US Department of Energy, US Department of …
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
委任: US National Science Foundation, US Department of Energy
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
委任: US National Science Foundation, US Department of Energy
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
委任: US National Science Foundation, US Department of Energy
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
委任: US National Science Foundation, US Department of Energy
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
委任: US National Science Foundation, US Department of Energy, US Department of …
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
委任: US National Science Foundation, US Department of Energy, US Department of …
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
委任: US National Science Foundation, US Department of Energy
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
委任: US Department of Defense, US National Aeronautics and Space Administration …
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
委任: US National Science Foundation, US Department of Energy, US Department of …
Phase diagram of the parafermionic chain with chiral interactions
Y Zhuang, HJ Changlani, NM Tubman, TL Hughes
Physical Review B 92 (3), 035154, 2015
委任: US Department of Energy
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
委任: US National Science Foundation, US Department of Energy, US Department of …
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
委任: US Department of Energy
Are multi-quasiparticle interactions important in molecular ionization?
C Mejuto-Zaera, G Weng, M Romanova, SJ Cotton, KB Whaley, ...
The Journal of Chemical Physics 154 (12), 2021
委任: US National Science Foundation, US Department of Defense, US National …
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
委任: US Department of Energy
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
委任: US National Science Foundation, US Department of Energy
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
委任: US National Science Foundation, US Department of Energy, US Department of …
Dynamical mean field theory simulations with the adaptive sampling configuration interaction method
C Mejuto-Zaera, NM Tubman, KB Whaley
Physical Review B 100 (12), 125165, 2019
委任: US National Science Foundation, US Department of Energy, Banking Foundation …
Benchmarking variational quantum eigensolvers for the square-octagon-lattice Kitaev model
ACY Li, MS Alam, T Iadecola, A Jahin, J Job, DM Kurkcuoglu, R Li, ...
Physical Review Research 5 (3), 033071, 2023
委任: US National Science Foundation, US Department of Energy
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