| 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 | 119 | 2012 |
| Full configuration interaction perspective on the homogeneous electron gas JJ Shepherd, G Booth, A Grüneis, A Alavi Physical Review B 85 (8), 081103, 2012 | 118 | 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), 244101, 2012 | 109 | 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), 244117, 2014 | 86 | 2014 |
| 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 | 85 | 2017 |
| 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 | 76 | 2008 |
| Many-body quantum chemistry for the electron gas: Convergent perturbative theories JJ Shepherd, A Grüneis Physical review letters 110 (22), 226401, 2013 | 69 | 2013 |
| 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 | 68 | 2016 |
| 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 | 62 | 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), 044116, 2015 | 61 | 2015 |
| 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 | 38 | 2014 |
| Range-separated Brueckner coupled cluster doubles theory JJ Shepherd, TM Henderson, GE Scuseria Physical review letters 112 (13), 133002, 2014 | 38 | 2014 |
| Coupled cluster channels in the homogeneous electron gas JJ Shepherd, TM Henderson, GE Scuseria The Journal of chemical physics 140 (12), 124102, 2014 | 38 | 2014 |
| 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 | 36 | 2013 |
| 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 | 32 | 2019 |
| 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 | 29 | 2016 |
| 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 | 28 | 2018 |
| 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 | 27 | 2014 |
| 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 | 26 | 2017 |
| 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, 2017 | 25 | 2017 |
George BoothRoyal Society Research Fellow, King's College LondonVerified email at kcl.ac.uk
