Santanu Roy

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Research activity per year

Education/Academic qualification

Sci-Natural Sci, Doctorate Degree

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Accelerating the Development of Reliable and Robust Machine LearningBased Interatomic Potentials
Lam, S. T. S. T. (PI), Bryantsev, V. V. (CoPI) & Roy, S. (CoPI)
Nuclear Energy University Program
01/1/21 → …
Project: Research

60 Article
2 Comment/debate
2 Review article
1 Conference contribution

Anatomy of Local Structural Disorder of Ni(II) Species in MgCl₂–KCl Molten Salts
Patra, N., Roy, S., Kim, E. M., Bryantsev, V. S., Dai, S., Wishart, J. F., Frenkel, A. I. & Gill, S. K., Jan 12 2026, In: ACS Applied Energy Materials. 9, 1, p. 169-178 10 p.
Research output: Contribution to journal › Article › peer-review
La³⁺ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity
Borah, B., Emerson, M. S., Roy, S., Ferrari, J. J., Chapman, K. W., Gallington, L. C., Dhakal, D., Kim, E. M., Halstenberg, P. W., Dai, S., Gill, S. K., Wishart, J. F. & Margulis, C. J., Apr 1 2026, In: Journal of the American Chemical Society. 148, 12, p. 12476-12480 5 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Chlorine gas and anion radical reactivity in molten salts and the link to chlorobasicity
Nguyen, H. H., Gibson, L. D., Emerson, M. S., Borah, B., Roy, S., Bryantsev, V. S. & Margulis, C. J., Jan 22 2025, In: Physical Chemistry Chemical Physics. 27, 8, p. 4290-4297 8 p.
Research output: Contribution to journal › Article › peer-review

Open Access
4 Scopus citations
Correlative analysis of Ni(ii) coordination states in molten salts using a combination of X-ray and optical spectroscopies and simulations
Liu, Y., Topsakal, M., Zheng, K., Betancourt, L. E., Woods, M., Roy, S., Patra, N., Leshchev, D., Halstenberg, P., Maltsev, D. S., Dai, S., Ivanov, A. S., Bryantsev, V. S., Wishart, J. F., Gakhar, R., Frenkel, A. I. & Gill, S. K., May 9 2025, In: Chemical Science. 16, 23, p. 10414-10423 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
6 Scopus citations
Liquid-Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl₃) Enabled by Machine Learning Interatomic Potentials
Chahal, R., Gibson, L. D., Roy, S. & Bryantsev, V. S., Jan 23 2025, In: Journal of Physical Chemistry B. 129, 3, p. 952-964 13 p.
Research output: Contribution to journal › Article › peer-review
1 Scopus citations

Santanu Roy

Overview

Education/Academic qualification

Fingerprint

Projects

Accelerating the Development of Reliable and Robust Machine LearningBased Interatomic Potentials

Publications

Anatomy of Local Structural Disorder of Ni(II) Species in MgCl2–KCl Molten Salts

La3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity

Chlorine gas and anion radical reactivity in molten salts and the link to chlorobasicity

Correlative analysis of Ni(ii) coordination states in molten salts using a combination of X-ray and optical spectroscopies and simulations

Liquid-Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl3) Enabled by Machine Learning Interatomic Potentials

Anatomy of Local Structural Disorder of Ni(II) Species in MgCl₂–KCl Molten Salts

La³⁺ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity

Liquid-Vapor Phase Equilibrium in Molten Aluminum Chloride (AlCl₃) Enabled by Machine Learning Interatomic Potentials