James J. Shepherd
James J. Shepherd
Verified email at uiowa.edu
Title
Cited by
Cited by
Year
Full configuration interaction perspective on the homogeneous electron gas
JJ Shepherd, G Booth, A Grüneis, A Alavi
Physical Review B 85 (8), 081103, 2012
1182012
Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems
JJ Shepherd, A Grüneis, GH Booth, G Kresse, A Alavi
Physical Review B 86 (3), 035111, 2012
1132012
Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models
JJ Shepherd, GH Booth, A Alavi
The Journal of chemical physics 136 (24), 244101, 2012
1072012
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
Scaling of xylem vessels and veins within the leaves of oak species
DA Coomes, S Heathcote, ER Godfrey, JJ Shepherd, L Sack
Biology Letters 4 (3), 302-306, 2008
772008
Speed limit for triplet-exciton transfer in solid-state PbS nanocrystal-sensitized photon upconversion
L Nienhaus, M Wu, N Geva, JJ Shepherd, MWB Wilson, V Bulović, ...
ACS nano 11 (8), 7848-7857, 2017
722017
Many-body quantum chemistry for the electron gas: Convergent perturbative theories
JJ Shepherd, A Grüneis
Physical review letters 110 (22), 226401, 2013
682013
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
Explicitly correlated plane waves: Accelerating convergence in periodic wavefunction expansions
A Grüneis, JJ Shepherd, A Alavi, DP Tew, GH Booth
The Journal of chemical physics 139 (8), 084112, 2013
602013
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
Sign problem in full configuration interaction quantum Monte Carlo: Linear and sublinear representation regimes for the exact wave function
JJ Shepherd, GE Scuseria, JS Spencer
Physical Review B 90 (15), 155130, 2014
402014
Range-separated Brueckner coupled cluster doubles theory
JJ Shepherd, TM Henderson, GE Scuseria
Physical review letters 112 (13), 133002, 2014
392014
Coupled cluster channels in the homogeneous electron gas
JJ Shepherd, TM Henderson, GE Scuseria
The Journal of chemical physics 140 (12), 124102, 2014
392014
Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
JD Farrell, C Lines, JJ Shepherd, D Chakrabarti, MA Miller, DJ Wales
Soft Matter 9 (22), 5407-5416, 2013
332013
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, ...
arXiv preprint arXiv:1407.5407, 2014
272014
Salt effect accelerates site-selective cysteine bioconjugation
P Dai, C Zhang, M Welborn, JJ Shepherd, T Zhu, T Van Voorhis, ...
ACS central science 2 (9), 637-646, 2016
262016
Morphology of passivating organic ligands around a nanocrystal
N Geva, JJ Shepherd, L Nienhaus, MG Bawendi, T Van Voorhis
The Journal of Physical Chemistry C 122 (45), 26267-26274, 2018
252018
Molecular-level insights into oxygen reduction catalysis by graphite-conjugated active sites
ND Ricke, AT Murray, JJ Shepherd, MG Welborn, T Fukushima, ...
ACS Catalysis 7 (11), 7680-7687, 2017
222017
Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly …
JJ Shepherd, TM Henderson, GE Scuseria
The Journal of chemical physics 144 (9), 094112, 2016
192016
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Articles 1–20