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Publications

Rigidity percolation and the spatial heterogeneity of soft modes in disordered materials.
VK de Souza, P Harrowell
– Proceedings of the National Academy of Sciences
(2009)
106,
15136
Energy landscapes for diffusion: Analysis of cage-breaking processes (13 pages).
VK de Souza, DJ Wales
– J Chem Phys
(2008)
129,
164507
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
(2007)
127,
044508
Correlation effects and super-Arrhenius diffusion in binary Lennard-Jones mixtures (12 pages).
VK de Souza, DJ Wales
– Physical Review B
(2006)
74,
134202
Super-arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
VK de Souza, DJ Wales
– Physical Review Letters
(2006)
96,
057802
Diagnosing broken ergodicity using an energy fluctuation metric (9 pages)
VK de Souza, DJ Wales
– J Chem Phys
(2005)
123,
134504
Chemical documents: machine understanding and automated information extraction.
JA Townsend, SE Adams, CA Waudby, VK de Souza, JM Goodman, P Murray-Rust
– Organic & biomolecular chemistry
(2004)
2,
{3294-3300}
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3IA Universite Cote d'Azur

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