New optimization scheme to obtain interaction potentials for oxide glasses S Sundararaman, L Huang, S Ispas, W Kob
The Journal of Chemical Physics 148 (19), 2018
76 2018 New interaction potentials for alkali and alkaline-earth aluminosilicate glasses S Sundararaman, L Huang, S Ispas, W Kob
The Journal of chemical physics 150 (15), 2019
51 2019 Improved Li+ Transport in Polyacetal Electrolytes: Conductivity and Current Fraction in a Series of Polymers RL Snyder, Y Choo, KW Gao, DM Halat, BA Abel, S Sundararaman, ...
ACS Energy Letters 6 (5), 1886-1891, 2021
42 2021 New interaction potentials for borate glasses with mixed network formers S Sundararaman, L Huang, S Ispas, W Kob
The Journal of chemical physics 152 (10), 2020
35 2020 Mechanical properties of silica glass predicted by a pair-wise potential in molecular dynamics simulations S Sundararaman, WY Ching, L Huang
Journal of Non-Crystalline Solids 445, 102-109, 2016
32 2016 Modifying Li+ and Anion Diffusivities in Polyacetal Electrolytes: A Pulsed-Field-Gradient NMR Study of Ion Self-Diffusion DM Halat, RL Snyder, S Sundararaman, Y Choo, KW Gao, ZJ Hoffman, ...
Chemistry of Materials 33 (13), 4915-4926, 2021
28 2021 Tailoring structure and properties of silica glass aided by computer simulation L Huang, F Yuan, M Guerette, Q Zhao, S Sundararaman
Journal of Materials Research 32 (1), 174-182, 2017
18 2017 Understanding the response of aluminosilicate and aluminoborate glasses to sharp contact loading using molecular dynamics simulation H Liu, B Deng, S Sundararaman, Y Shi, L Huang
Journal of Applied Physics 128 (3), 2020
17 2020 New interaction potentials for alkaline earth silicate and borate glasses YT Shih, S Sundararaman, S Ispas, L Huang
Journal of Non-Crystalline Solids 565, 120853, 2021
15 2021 Structural origin of the anomalous density maximum in silica and alkali silicate glasses YT Shih, S Sundararaman, L Huang
Journal of the American Ceramic Society 103 (7), 3942-3953, 2020
11 2020 Understanding the structural origin of intermediate glasses SP Jaccani, S Sundararaman, L Huang
Journal of the American Ceramic Society 102 (3), 1137-1149, 2019
10 2019 Understanding the Impact of Multi-Chain Ion Coordination in Poly (ether-Acetal) Electrolytes S Sundararaman, DM Halat, JA Reimer, NP Balsara, D Prendergast
Macromolecules 55 (21), 9880-9889, 2022
7 2022 Tensile ductility and necking in consolidated amorphous alumina Y Zhang, H Liu, S Sundararaman, L Huang, Y Shi
Journal of the American Ceramic Society 105 (2), 958-965, 2022
7 2022 Exploring the Ion Solvation Environments in Solid-State Polymer Electrolytes through Free-Energy Sampling S Sundararaman, DM Halat, Y Choo, RL Snyder, BA Abel, GW Coates, ...
Macromolecules 54 (18), 8590-8600, 2021
6 2021 Unsupervised learning of representative local atomic arrangements in molecular dynamics data F Roncoroni, A Sanz-Matias, S Sundararaman, D Prendergast
Physical Chemistry Chemical Physics 25 (19), 13741-13754, 2023
4 2023 Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4 )2 in THF A Sanz Matias, F Roncoroni, S Sundararaman, D Prendergast
Nature Communications 15 (1), 1397, 2024
2 2024 Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH AS Matias, F Roncoroni, S Sundararaman, D Prendergast
arXiv preprint arXiv:2303.08261, 2023
2 2023 (Invited) Analysis of Interfacial Species at Finite Bias - Calcium Borohydride in TetrahydrofuranD Prendergast, AS Matias, F Roncoroni, S Sundararaman
Electrochemical Society Meeting Abstracts 245, 2507-2507, 2024
2024 Ca-dimers and solvent layering determine electrochemically active species in Ca(BH4 )2 in THF D Prendergast, A Sanz Matias, F Roncoroni, S Sundararaman
Bulletin of the American Physical Society, 2024
2024 Ca-dimers, solvent layering, and dominant electrochemically active species in Ca(BH4 )2 in THF. F Roncoroni, S Sundararaman, D Prendergast
Nature Communications 15 (1), 1397-1397, 2024
2024 