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Nick Blunt
Nick Blunt
Riverlane
在 cam.ac.uk 的电子邮件经过验证
标题
引用次数
引用次数
年份
PySCF: the Pythonbased simulations of chemistry framework
Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018
13362018
Recent developments in the PySCF program package
Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ...
The Journal of chemical physics 153 (2), 2020
6102020
Multi-qubit entanglement and algorithms on a neutral-atom quantum computer
TM Graham, Y Song, J Scott, C Poole, L Phuttitarn, K Jooya, P Eichler, ...
Nature 604 (7906), 457-462, 2022
3102022
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
2832018
The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method
JS Spencer, NS Blunt, WMC Foulkes
The Journal of chemical physics 136 (5), 2012
1302012
Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo
C Overy, GH Booth, NS Blunt, JJ Shepherd, D Cleland, A Alavi
The Journal of chemical physics 141 (24), 2014
1132014
Density-matrix quantum Monte Carlo method
NS Blunt, TW Rogers, JS Spencer, WMC Foulkes
Physical Review B 89 (24), 245124, 2014
1122014
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
NS Blunt, SD Smart, JAF Kersten, JS Spencer, GH Booth, A Alavi
The Journal of chemical physics 142 (18), 2015
1112015
Accurate exchange-correlation energies for the warm dense electron gas
FD Malone, NS Blunt, EW Brown, DKK Lee, JS Spencer, WMC Foulkes, ...
Physical review letters 117 (11), 115701, 2016
1032016
An excited-state approach within full configuration interaction quantum Monte Carlo
NS Blunt, SD Smart, GH Booth, A Alavi
The Journal of Chemical Physics 143 (13), 2015
1032015
Perspective on the current state-of-the-art of quantum computing for drug discovery applications
NS Blunt, J Camps, O Crawford, R Izsák, S Leontica, A Mirani, AE Moylett, ...
Journal of Chemical Theory and Computation 18 (12), 7001-7023, 2022
872022
Interaction picture density matrix quantum Monte Carlo
FD Malone, NS Blunt, JJ Shepherd, DKK Lee, JS Spencer, WMC Foulkes
The Journal of chemical physics 143 (4), 2015
862015
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
K Guther, RJ Anderson, NS Blunt, NA Bogdanov, D Cleland, N Dattani, ...
The Journal of chemical physics 153 (3), 2020
812020
Krylov-projected quantum Monte Carlo method
NS Blunt, A Alavi, GH Booth
Physical Review Letters 115 (5), 050603, 2015
682015
A new mechanism for ocean–atmosphere coupling in midlatitudes
A Czaja, N Blunt
Quarterly Journal of the Royal Meteorological Society 137 (657), 1095-1101, 2011
652011
Density matrices in full configuration interaction quantum Monte Carlo: Excited states, transition dipole moments, and parallel distribution
NS Blunt, GH Booth, A Alavi
The Journal of Chemical Physics 146 (24), 2017
552017
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
JS Spencer, NS Blunt, S Choi, J Etrych, MA Filip, WMC Foulkes, ...
Journal of chemical theory and computation 15 (3), 1728-1742, 2019
482019
Communication: An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo
NS Blunt
The Journal of Chemical Physics 148 (22), 2018
432018
Excited-state diffusion Monte Carlo calculations: a simple and efficient two-determinant ansatz
NS Blunt, E Neuscamman
Journal of chemical theory and computation 15 (1), 178-189, 2018
322018
Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project
JS Spencer, NS Blunt, WA Vigor, FD Malone, WMC Foulkes, JJ Shepherd, ...
Journal of Open Research Software 3 (1), 2015
30*2015
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