| Quantum Monte Carlo simulations of solids WMC Foulkes, L Mitas, RJ Needs, G Rajagopal Reviews of Modern Physics 73 (1), 33, 2001 | 2931 | 2001 |
| Finite-size effects and Coulomb interactions in quantum Monte Carlo calculations for homogeneous systems with periodic boundary conditions LM Fraser, WMC Foulkes, G Rajagopal, RJ Needs, SD Kenny, ... Physical Review B 53 (4), 1814, 1996 | 288 | 1996 |
| Calculations of silicon self-interstitial defects WK Leung, RJ Needs, G Rajagopal, S Itoh, S Ihara Physical review letters 83 (12), 2351, 1999 | 243 | 1999 |
| Monte Carlo energy and variance-minimization techniques for optimizing many-body wave functions PRC Kent, RJ Needs, G Rajagopal Physical Review B 59 (19), 12344, 1999 | 166 | 1999 |
| Patterns and barriers for fission of charged small metal clusters RN Barnett, U Landman, G Rajagopal Physical review letters 67 (22), 3058, 1991 | 165 | 1991 |
| The tumor suppressor p53: cancer and aging Z Feng, W Hu, G Rajagopal, AJ Levine Cell cycle 7 (7), 842-847, 2008 | 156 | 2008 |
| Finite-size errors in quantum many-body simulations of extended systems PRC Kent, RQ Hood, AJ Williamson, RJ Needs, WMC Foulkes, ... Physical Review B 59 (3), 1917, 1999 | 142 | 1999 |
| Elimination of Coulomb finite-size effects in quantum many-body simulations AJ Williamson, G Rajagopal, RJ Needs, LM Fraser, WMC Foulkes, ... Physical Review B 55 (8), R4851, 1997 | 141 | 1997 |
| Carbon clusters near the crossover to fullerene stability PRC Kent, MD Towler, RJ Needs, G Rajagopal Physical Review B 62 (23), 15394, 2000 | 140 | 2000 |
| Identifying microRNA/mRNA dysregulations in ovarian cancer GD Miles, M Seiler, L Rodriguez, G Rajagopal, G Bhanot BMC research notes 5, 1-10, 2012 | 132 | 2012 |
| Variational and diffusion quantum Monte Carlo calculations at nonzero wave vectors: Theory and application to diamond-structure germanium G Rajagopal, RJ Needs, A James, SD Kenny, WMC Foulkes Physical Review B 51 (16), 10591, 1995 | 128 | 1995 |
| casino version 2.1 User Manual RJ Needs, MD Towler, ND Drummond, PL Ríos University of Cambridge, Cambridge, 2007 | 125 | 2007 |
| Optical spectra of localized excess electrons in alkali halide clusters G Rajagopal, RN Barnett, A Nitzan, U Landman, EC Honea, P Labastie, ... Physical review letters 64 (24), 2933, 1990 | 120 | 1990 |
| Metallization of ionic clusters G Rajagopal, RN Barnett, U Landman Physical review letters 67 (6), 727, 1991 | 119 | 1991 |
| Quantum Monte Carlo calculations for solids using special k points methods G Rajagopal, RJ Needs, S Kenny, WMC Foulkes, A James Physical review letters 73 (14), 1959, 1994 | 118 | 1994 |
| Born–Oppenheimer dynamics using density‐functional theory: Equilibrium and fragmentation of small sodium clusters RN Barnett, U Landman, A Nitzan, G Rajagopal The Journal of chemical physics 94 (1), 608-616, 1991 | 116 | 1991 |
| Quantum monte carlo investigation of exchange and correlation in silicon RQ Hood, MY Chou, AJ Williamson, G Rajagopal, RJ Needs, ... Physical review letters 78 (17), 3350, 1997 | 113 | 1997 |
| Diffusion quantum Monte Carlo calculations of the excited states of silicon AJ Williamson, RQ Hood, RJ Needs, G Rajagopal Physical Review B 57 (19), 12140, 1998 | 110 | 1998 |
| Ab initio calculations of the cohesive energy and the bulk modulus ofaluminium R Gaudoin, WMC Foulkes, G Rajagopal Journal of Physics: Condensed Matter 14 (38), 8787, 2002 | 102 | 2002 |
| Optimized wave functions for quantum Monte Carlo studies of atoms and solids AJ Williamson, SD Kenny, G Rajagopal, AJ James, RJ Needs, LM Fraser, ... Physical Review B 53 (15), 9640, 1996 | 87 | 1996 |