New interaction potentials for borate glasses with mixed network formers.

Walter Kob , Simona Ispas , Liping Huang , Siddharth Sundararaman
Journal of Chemical Physics 152 ( 10) 104501 -104501

22
2020
New interaction potentials for alkali and alkaline-earth aluminosilicate glasses

Walter Kob , Simona Ispas , Liping Huang , Siddharth Sundararaman
Journal of Chemical Physics 150 ( 15) 154505

16
2019
New interaction potentials for alkaline earth silicate and borate glasses

Simona Ispas , Liping Huang , Yueh-Ting Shih , Siddharth Sundararaman
Journal of Non-crystalline Solids 565 120853

1
2021
Improved Li+ Transport in Polyacetal Electrolytes: Conductivity and Current Fraction in a Series of Polymers

David M. Halat , David M. Halat , David M. Halat , Youngwoo Choo
ACS energy letters 6 ( 5) 1886 -1891

27
2021
Improved Li+ Transport in Polyacetal Electrolytes: Conductivity and Current Fraction in a Series of Polymers

David M. Halat , David M. Halat , David M. Halat , Youngwoo Choo
ACS energy letters 6 ( 5) 1886 -1891

27
2021
Tailoring structure and properties of silica glass aided by computer simulation

Liping Huang , Fenglin Yuan , Michael Guerette , Qing Zhao
Journal of Materials Research 32 ( 1) 174 -182

14
2017
New optimization scheme to obtain interaction potentials for oxide glasses

Siddharth Sundararaman , Liping Huang , Simona Ispas , Walter Kob
Journal of Chemical Physics 148 ( 19) 194504

30
2018
Understanding the response of aluminosilicate and aluminoborate glasses to sharp contact loading using molecular dynamics simulation

Haidong Liu , Binghui Deng , Siddharth Sundararaman , Yunfeng Shi
Journal of Applied Physics 128 ( 3) 035106

2
2020
Structural origin of the anomalous density maximum in silica and alkali silicate glasses

Yueh‐Ting Shih , Siddharth Sundararaman , Liping Huang
Journal of the American Ceramic Society 103 ( 7) 3942 -3953

3
2020
Understanding the structural origin of intermediate glasses

Siva Priya Jaccani , Siddharth Sundararaman , Liping Huang
Journal of the American Ceramic Society 102 ( 3) 1137 -1149

4
2019
Mechanical properties of silica glass predicted by a pair-wise potential in molecular dynamics simulations

Siddharth Sundararaman , Wai-Yim Ching , Liping Huang
Journal of Non-crystalline Solids 445 102 -109

25
2016
Unsupervised learning of representative local atomic arrangements in molecular dynamics data

Fabrice Roncoroni , Ana Sanz-Matias , Siddharth Sundararaman , David Prendergast
Physical Chemistry Chemical Physics 25 ( 19) 13741 -13754

2023
Modifying Li+ and anion diffusivities in polyacetal electrolytes: a pulsed-field-gradient nmr study of ion self-diffusion

David M Halat , Rachel L Snyder , Siddharth Sundararaman , Youngwoo Choo
Chemistry of Materials 33 ( 13) 4915 -4926

26
2021
Tensile ductility and necking in consolidated amorphous alumina

Yanming Zhang , Haidong Liu , Siddharth Sundararaman , Liping Huang
Journal of the American Ceramic Society 105 ( 2) 958 -965

7
2022
Exploring the Ion Solvation Environments in Solid-State Polymer Electrolytes through Free-Energy Sampling

Siddharth Sundararaman , David M Halat , Youngwoo Choo , Rachel L Snyder
Macromolecules 54 ( 18) 8590 -8600

6
2021
Understanding the Impact of Multi-Chain Ion Coordination in Poly (ether-Acetal) Electrolytes

Siddharth Sundararaman , David M Halat , Jeffrey A Reimer , Nitash P Balsara
Macromolecules 55 ( 21) 9880 -9889

5
2022
Ca-dimers, solvent layering, and dominant electrochemically active species in Ca (BH4) 2 in THF

Ana Sanz Matias , Fabrice Roncoroni , Siddharth Sundararaman , David Prendergast
Nature Communications 15 ( 1) 1397 -1397

1
2024
Analysis of Interfacial Species at Finite Bias-Calcium Borohydride in Tetrahydrofuran

David Prendergast , Ana Sanz Matias , Fabrice Roncoroni , Siddharth Sundararaman
245th ECS Meeting (May 26-30, 2024)

2024
Ca-dimers and solvent layering determine electrochemically active species in Ca (BH 4) 2 in THF

David Prendergast , Ana Sanz Matias , Fabrice Roncoroni , Siddharth Sundararaman
Bulletin of the American Physical Society

2024
Ca-dimers and solvent layering determine electrochemically active species in Ca (BH4) 2 in THF

Ana Sanz Matias , Fabrice Roncoroni , Siddharth Sundararaman , David Prendergast

2023