Nick Blunt
Nick Blunt
Research Fellow, St John's College, University of Cambridge
Verified email at cam.ac.uk
Title
Cited by
Cited by
Year
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
467*2018
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
1232018
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), 054110, 2012
1112012
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), 244117, 2014
852014
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), 184107, 2015
842015
Density-matrix quantum Monte Carlo method
NS Blunt, TW Rogers, JS Spencer, WMC Foulkes
Physical Review B 89 (24), 245124, 2014
802014
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), 134117, 2015
662015
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
622016
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), 044116, 2015
582015
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
542011
Krylov-projected quantum Monte Carlo method
NS Blunt, A Alavi, GH Booth
Physical review letters 115 (5), 050603, 2015
522015
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), 024109, 2020
422020
Communication: An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo
NS Blunt
The Journal of chemical physics 148 (22), 221101, 2018
372018
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), 244105, 2017
342017
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
312019
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
29*2015
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
242018
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), 034107, 2020
182020
Preconditioning and perturbative estimators in full configuration interaction quantum Monte Carlo
NS Blunt, AJW Thom, CJC Scott
Journal of chemical theory and computation 15 (6), 3537-3551, 2019
182019
Charge-transfer excited states: Seeking a balanced and efficient wave function ansatz in variational Monte Carlo
NS Blunt, E Neuscamman
The Journal of chemical physics 147 (19), 194101, 2017
152017
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Articles 1–20