Research Associate
Publications
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes
– Proceedings of the National Academy of Sciences of the United States of America
(2024)
(doi: 10.1073/pnas.2318157121)
Impedance of nanocapacitors from molecular simulations to understand the dynamics of confined electrolytes.
– Proc Natl Acad Sci U S A
(2024)
121,
e2318157121
(doi: 10.1073/pnas.2318157121)
Learning intermolecular forces at liquid–vapor interfaces
– The Journal of chemical physics
(2021)
155,
164101
(doi: 10.1063/5.0067565)
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization.
– J Phys Chem A
(2021)
125,
3776
(doi: 10.1021/acs.jpca.1c00903)
Effects of random pinning on the potential energy landscape of a supercooled liquid.
– The Journal of Chemical Physics
(2018)
149,
114503
(doi: 10.1063/1.5042140)
Pathways for diffusion in the potential energy landscape of the network glass former SiO
– Journal of Chemical Physics
(2017)
147,
152726
(doi: 10.1063/1.5005924)
Optimal Alignment of Structures for Finite and Periodic Systems
– Journal of chemical theory and computation
(2017)
13,
4914
(doi: 10.1021/acs.jctc.7b00543)
Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems
– The Journal of chemical physics
(2017)
146,
124103
(doi: 10.1063/1.4977794)
Dynamics and thermodynamics of the coronene octamer described by coarse-grained potentials.
– Physical Chemistry Chemical Physics
(2017)
19,
1884
(doi: 10.1039/c6cp07671h)
Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl
– The Journal of chemical physics
(2016)
145,
024505
(doi: 10.1063/1.4954324)