| An atlas of fullerenes PW Fowler, DE Manolopoulos Courier Corporation, 2007 | 2217 | 2007 |
| Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics IR Craig, DE Manolopoulos The Journal of chemical physics 121 (8), 3368-3373, 2004 | 918 | 2004 |
| An improved log derivative method for inelastic scattering DE Manolopoulos The Journal of chemical physics 85 (11), 6425-6429, 1986 | 780 | 1986 |
| Ring-polymer molecular dynamics: Quantum effects in chemical dynamics from classical trajectories in an extended phase space S Habershon, DE Manolopoulos, TE Markland, TF Miller III Annual review of physical chemistry 64 (1), 387-413, 2013 | 726 | 2013 |
| Competing quantum effects in the dynamics of a flexible water model S Habershon, TE Markland, DE Manolopoulos The journal of chemical physics 131 (2), 2009 | 594 | 2009 |
| ABC: a quantum reactive scattering program D Skouteris, JF Castillo, DE Manolopoulos Computer Physics Communications 133 (1), 128-135, 2000 | 545 | 2000 |
| Theoretical studies of the fullerenes: C34 to C70 DE Manolopoulos, JC May, SE Down Chemical physics letters 181 (2), 105-111, 1991 | 540 | 1991 |
| A stable linear reference potential algorithm for solution of the quantum close‐coupled equations in molecular scattering theory MH Alexander, DE Manolopoulos The Journal of chemical physics 86 (4), 2044-2050, 1987 | 453 | 1987 |
| Chemical reaction rates from ring polymer molecular dynamics IR Craig, DE Manolopoulos The Journal of chemical physics 122 (8), 2005 | 438 | 2005 |
| Efficient stochastic thermostatting of path integral molecular dynamics M Ceriotti, M Parrinello, TE Markland, DE Manolopoulos The Journal of chemical physics 133 (12), 2010 | 404 | 2010 |
| Molecular graphs, point groups, and fullerenes DE Manolopoulos, PW Fowler The Journal of chemical physics 96 (10), 7603-7614, 1992 | 391 | 1992 |
| A refined ring polymer molecular dynamics theory of chemical reaction rates IR Craig, DE Manolopoulos The Journal of chemical physics 123 (3), 2005 | 341 | 2005 |
| i-PI 2.0: A universal force engine for advanced molecular simulations V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ... Computer Physics Communications 236, 214-223, 2019 | 340 | 2019 |
| van der Waals Interactions in the Cl+HD Reaction D Skouteris, DE Manolopoulos, W Bian, HJ Werner, LH Lai, K Liu Science 286 (5445), 1713-1716, 1999 | 324 | 1999 |
| Resonance-mediated chemical reaction: F+HD → HF+D RT Skodje, D Skouteris, DE Manolopoulos, SH Lee, F Dong, K Liu Physical review letters 85 (6), 1206, 2000 | 322 | 2000 |
| Derivation and reflection properties of a transmission-free absorbing potential DE Manolopoulos The Journal of chemical physics 117 (21), 9552-9559, 2002 | 320 | 2002 |
| An investigation of the F+H2 reaction based on a full ab initio description of the open-shell character of the F(2P) atom MH Alexander, DE Manolopoulos, HJ Werner The Journal of Chemical Physics 113, 11084, 2000 | 315 | 2000 |
| i-PI: A Python interface for ab initio path integral molecular dynamics simulations M Ceriotti, J More, DE Manolopoulos Computer Physics Communications 185 (3), 1019-1026, 2014 | 312 | 2014 |
| The transition state of the F+H2 reaction DE Manolopoulos, K Stark, HJ Werner, DW Arnold, SE Bradforth, ... Science-AAAS-Weekly Paper Edition-including Guide to Scientific Information …, 1993 | 301 | 1993 |
| Quantum scattering via the log derivative version of the Kohn variational principle DE Manolopoulos, RE Wyatt Chemical physics letters 152 (1), 23-32, 1988 | 282 | 1988 |
Michele CeriottiAssociate Professor at EPFL, Institute of MaterialsVerified email at epfl.ch
