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 | 163 | 2017 |
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—Condensed Matter and Materials Physics 86 (3), 035111, 2012 | 149 | 2012 |
Full configuration interaction perspective on the homogeneous electron gas JJ Shepherd, G Booth, A Grüneis, A Alavi Physical Review B—Condensed Matter and Materials Physics 85 (8), 081103, 2012 | 140 | 2012 |
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), 2012 | 124 | 2012 |
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 | 114 | 2014 |
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 | 106 | 2016 |
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 | 100 | 2008 |
Many-body quantum chemistry for the electron gas: Convergent perturbative theories JJ Shepherd, A Grüneis Physical review letters 110 (22), 226401, 2013 | 99 | 2013 |
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 | 87 | 2015 |
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 | 81 | 2020 |
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), 2013 | 77 | 2013 |
Range-separated brueckner coupled cluster doubles theory JJ Shepherd, TM Henderson, GE Scuseria Physical review letters 112 (13), 133002, 2014 | 54 | 2014 |
Coupled cluster channels in the homogeneous electron gas JJ Shepherd, TM Henderson, GE Scuseria The Journal of chemical physics 140 (12), 2014 | 52 | 2014 |
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 | 51 | 2018 |
B.; Bulović, V.; Van Voorhis, T.; Baldo, MA; Bawendi, MG Speed Limit for Triplet-Exciton Transfer in Solid-State PbS Nanocrystal-Sensitized Photon Upconversion L Nienhaus, M Wu, N Geva, JJ Shepherd, MW Wilson ACS Nano 11 (8), 7848-7857, 2017 | 49 | 2017 |
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 | 48 | 2019 |
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 | 46 | 2014 |
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 | 43 | 2016 |
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 | 40 | 2013 |
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 | 38 | 2017 |