Research Associate
Publications
The effect of ionic association on the electrochemistry of redox mediators for Li-O2 batteries: developing a theoretical framework
Phys Chem Chem Phys
(2024)
26
22134
(doi: 10.1039/d4cp01488j)
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
Proceedings of the National Academy of Sciences
(2024)
121
e2318157121
(doi: 10.1073/pnas.2318157121)
Understanding Sorption of Aqueous Electrolytes in Porous Carbon by NMR Spectroscopy.
J Am Chem Soc
(2024)
146
9897
(doi: 10.1021/jacs.3c14807)
Scientific Machine Learning of 2D Perovskite Nanosheet Formation.
Journal of the American Chemical Society
(2023)
145
23076
(doi: 10.1021/jacs.3c05984)
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
The Journal of Physical Chemistry 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
The 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)
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