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Career

· Manager, Scalable Computational IntelligenceResearch Associate, Texas Advanced Computing Center2021–

Publications (12)

Transformation of topologically close-packed β-W to body-centered cubic α-W: Comparison of experiments and computations.
Journal of Chemical Physics · 2017
31
cited
Biased gradient squared descent saddle point finding method.
Journal of Chemical Physics · 2014
19
cited
Unimolecular reactions in the CF3CH2Cl ↔ CF2ClCH2F system: isomerization by interchange of Cl and F atoms.
Journal of Physical Chemistry A · 2011
18
cited
Collective Atomic Displacements during Complex Phase Boundary Migration in Solid-Solid Phase Transformations.
Physical Review Letters · 2016
15
cited
Unimolecular HCl and HF elimination reactions of 1,2-dichloroethane, 1,2-difluoroethane, and 1,2-chlorofluoroethane: assignment of threshold energies.
Journal of Physical Chemistry A · 2010
14
cited
Unimolecular reactions of CH(2)BrCH(2)Br, CH(2)BrCH(2)Cl, and CH(2)BrCD(2)Cl: identification of the Cl-Br interchange reaction.
Journal of Physical Chemistry A · 2010
12
cited
Isomerization of neopentyl chloride and neopentyl bromide by a 1,2-interchange of a halogen atom and a methyl group.
Journal of Physical Chemistry A · 2010
10
cited
Unimolecular reactions of chemically activated CF2BrCF2CH3 and CF2BrCF2CD3: evidence for 1,2-FBr interchange.
Journal of Physical Chemistry A · 2008
9
cited
Ridge-based bias potentials to accelerate molecular dynamics.
Journal of Chemical Physics · 2015
6
cited
Unimolecular rate constant and threshold energy for the HF elimination from chemically activated CF3CHFCF3.
Journal of Physical Chemistry A · 2010
3
cited
Theoretical investigation of 1,2-interchange of a chlorine atom and methyl group in 1,1-dichloroacetone.
Journal of Physical Chemistry A · 2010
2
cited
Simulation methodology for the kinetics of solid state atomic systems
2015
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