| Energy landscapes for diffusion: Analysis of cage-breaking processes VK de Souza, DJ Wales The Journal of chemical physics 129 (16), 2008 | 106 | 2008 |
| Connectivity in the potential energy landscape for binary Lennard-Jones systems VK de Souza, DJ Wales The Journal of chemical physics 130 (19), 2009 | 69 | 2009 |
| Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl SP Niblett, VK De Souza, JD Stevenson, DJ Wales The Journal of chemical physics 145 (2), 2016 | 40 | 2016 |
| Chemical documents: machine understanding and automated information extraction JA Townsend, SE Adams, CA Waudby, VK de Souza, JM Goodman, ... Organic & biomolecular chemistry 2 (22), 3294-3300, 2004 | 38 | 2004 |
| Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems VK De Souza, JD Stevenson, SP Niblett, JD Farrell, DJ Wales The Journal of Chemical Physics 146 (12), 2017 | 33 | 2017 |
| Equilibrium density of states and thermodynamic properties of a model glass former F Calvo, TV Bogdan, VK de Souza, DJ Wales The Journal of chemical physics 127 (4), 2007 | 30 | 2007 |
| Correlation effects and super-Arrhenius diffusion in binary Lennard-Jones mixtures VK de Souza, DJ Wales Physical Review B—Condensed Matter and Materials Physics 74 (13), 134202, 2006 | 29 | 2006 |
| Super-Arrhenius Diffusion in an Undercooled Binary Lennard-Jones Liquid Results<? format?> from a Quantifiable Correlation Effect VK de Souza, DJ Wales Physical review letters 96 (5), 057802, 2006 | 29 | 2006 |
| Pathways for diffusion in the potential energy landscape of the network glass former SiO2 SP Niblett, M Biedermann, DJ Wales, VK De Souza The Journal of Chemical Physics 147 (15), 2017 | 26 | 2017 |
| Rigidity percolation and the spatial heterogeneity of soft modes in disordered materials VK de Souza, P Harrowell Proceedings of the National Academy of Sciences 106 (36), 15136-15141, 2009 | 26 | 2009 |
| Diagnosing broken ergodicity using an energy fluctuation metric VK De Souza, DJ Wales The Journal of chemical physics 123 (13), 2005 | 23 | 2005 |
| Effects of random pinning on the potential energy landscape of a supercooled liquid SP Niblett, VK De Souza, RL Jack, DJ Wales The Journal of chemical physics 149 (11), 2018 | 16 | 2018 |
| The potential energy landscape for crystallisation of a Lennard-Jones fluid VK De Souza, DJ Wales Journal of Statistical Mechanics: Theory and Experiment 2016 (7), 074001, 2016 | 16 | 2016 |
| Unconstrained motions, dynamic heterogeneities, and relaxation in disordered solids VK de Souza, P Harrowell Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 80 (4 …, 2009 | 13 | 2009 |
| 14 Pathways and Rates for Structural Transformations of Peptides and Proteins DJ Wales, JM Carr, M Khalili, VK de Souza, B Strodel, CS Whittleston Proteins: Energy, Heat and Signal Flow 1, 315, 2009 | 4 | 2009 |
| Length scales of dynamic heterogeneities in a network of fluctuating mechanical constraints VK de Souza, P Harrowell Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 83 (1 …, 2011 | 3 | 2011 |
| Glassy dynamics and the potential energy landscape VK De Souza University of Cambridge, 2008 | 3 | 2008 |
| Structurally determined directionality identifies the boundary between mobile and immobile domains in a disordered material VK de Souza, P Harrowell The Journal of Chemical Physics 136 (5), 2012 | 1 | 2012 |
| Research Data supporting" Pathways for diffusion in the potential energy landscape of the network glass former SiO2", J. Chem. Phys. 147 (2017) S Niblett, M Biedermann, DJ Wales, VK de Souza | | 2017 |
| Research data supporting [Defining and Quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems]. VK De Souza, DJ Wales, JD Stevenson, SP Niblett, JD Farrell, ... | | 2017 |
