Publications
Connectivity in the potential energy landscape for binary Lennard-Jones systems
The Journal of Chemical Physics
(2009)
130
194508
(doi: 10.1063/1.3131690)
Energy landscapes for diffusion: Analysis of cage-breaking processes (13 pages).
The Journal of Chemical Physics
(2008)
129
164507
(doi: 10.1063/1.2992128)
Equilibrium density of states and thermodynamic properties of a model glass former.
The Journal of Chemical Physics
(2007)
127
044508
(doi: 10.1063/1.2749725)
Correlation effects and super-Arrhenius diffusion in binary Lennard-Jones mixtures (12 pages).
Physical Review B
(2006)
74
134202
(doi: 10.1103/physrevb.74.134202)
Super-arrhenius diffusion in an undercooled binary Lennard-Jones liquid results from a quantifiable correlation effect
Physical Review Letters
(2006)
96
057802
Diagnosing broken ergodicity using an energy fluctuation metric
The Journal of Chemical Physics
(2005)
123
134504
(doi: 10.1063/1.2035080)
Chemical documents: Machine understanding and automated information extraction
Organic & biomolecular chemistry
(2004)
2
3294
(doi: 10.1039/b411033a)
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