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Physical Chemistry

Working Paper

Medium-Density Amorphous Ice Unveils Shear Rate as a New Dimension in Water’s Phase Diagram

Ingrid de Almeida Ribeiro, Debdas Dhabal, Rajat Kumar, Suvo Banik, Subramanian Sankaranarayanan, Valeria Molinero

Version 2 posted 26 September 2024

295

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Physical Chemistry

Working Paper

Stability and Metastability of Liquid water in a Machine-learned Coarse-grained Model with Short-range Interactions

Debdas Dhabal, Subramanian Sankaranarayanan, Valeria Molinero

Version 2 posted 03 November 2022

850

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Materials Science

Working Paper

Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning

Sukriti Manna, Henry Chan, Avishek Ghosh, Tamoghna Chakraborti, Subramanian Sankaranarayanan

Version 2 posted 17 July 2023

347

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Theoretical and Computational Chemistry

Working Paper

Artificial Intelligence Guided De Novo Molecular Design Targeting COVID-19

Srilok Srinivasan, Rohit Batra, Henry Chan, Ganesh Kamath, Mathew J. Cherukara, Subramanian Sankaranarayanan

Version 1 posted 30 June 2020

994

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Materials Science

Working Paper

High-Entropy 2D Carbide MXenes

Srinivasa Kartik Nemani, BOWEN ZHANG, Brian C. Wyatt, Zachary D. Hood, Sukriti Manna, Rasoul Khaledialidusti, Weichen Hong, Michael G. Sternberg, Subramanian Sankaranarayanan, Babak Anasori

Version 1 posted 01 April 2021

1,589

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Materials Science

Working Paper

Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk

Bilvin Varughese, Sukriti Manna, Troy Loeffler, Rohit Batra, Mathew Cherukara, Subramanian K.R.S. Sankaranarayanan

Version 1 posted 13 June 2022

212

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Materials Science

Working Paper

Graph Neural Network Guided Evolutionary Search of Grain Boundaries in 2D Materials

Jianan Zhang, Aditya Koneru, Subramanian Sankaranarayanan, Carmen Lilley

Version 2 posted 11 April 2023

256

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Materials Chemistry

Working Paper

Interzeolite transformation through cross-nucleation: A molecular mechanism for seed-assisted synthesis

Carlos Chu-Jon, Eli Martinez, Andressa Bertolazzo, Suvo Banik, Jeffrey Rimer, Subramanian Sankaranarayanan, Valeria Molinero

Version 2 posted 26 September 2024

402

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8 results in Subramanian Sankaranarayanan in Authors: Subramanian Sankaranarayanan

Medium-Density Amorphous Ice Unveils Shear Rate as a New Dimension in Water’s Phase Diagram

Stability and Metastability of Liquid water in a Machine-learned Coarse-grained Model with Short-range Interactions

Understanding and Control of Zener Pinning via Phase Field and Ensemble Learning

Artificial Intelligence Guided De Novo Molecular Design Targeting COVID-19

High-Entropy 2D Carbide MXenes

Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk

Graph Neural Network Guided Evolutionary Search of Grain Boundaries in 2D Materials

Interzeolite transformation through cross-nucleation: A molecular mechanism for seed-assisted synthesis

8 results in Authors: Subramanian Sankaranarayanan