Gopalakrishnan Sai Gautam

Bengaluru, KA, India

Last Updated: 09/26/2026

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Found 22 publications

Leveraging transfer learning for accurate estimation of ionic migration barriers in solids.

Leveraging transfer learning for accurate estimation of ionic migration barriers in solids.

Journal: npj computational materials
Published: September 03, 2025

Realizing Highly Reversible Nb5+/Nb4+/Nb3+ Redox Reactions in Bulk NASICON-NaNbAl(PO4)3 Anode Under Higher Current Rates.

Realizing Highly Reversible Nb5+/Nb4+/Nb3+ Redox Reactions in Bulk NASICON-NaNbAl(PO4)3 Anode Under Higher Current Rates.

Journal: Small (Weinheim an der Bergstrasse, Germany)
Published: August 18, 2025

A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials.

A literature-derived dataset of migration barriers for quantifying ionic transport in battery materials.

Journal: Scientific data
Published: August 11, 2025

Real-Space Methods for Ab Initio Modeling of Surfaces and Interfaces under External Potential Bias.

Real-Space Methods for Ab Initio Modeling of Surfaces and Interfaces under External Potential Bias.

Journal: Journal of chemical theory and computation
Published: July 02, 2025

Exploration of Amorphous V2O5 as Cathode for Magnesium Batteries.

Exploration of Amorphous V2O5 as Cathode for Magnesium Batteries.

Journal: Small (Weinheim an der Bergstrasse, Germany)
Published: May 14, 2025

Vacancy-Ordered Hybrid Two-Dimensional Bi(III) Iodides with (100)-Oriented Dion-Jacobson Perovskite-Related Structures.

Vacancy-Ordered Hybrid Two-Dimensional Bi(III) Iodides with (100)-Oriented Dion-Jacobson Perovskite-Related Structures.

Journal: Inorganic chemistry
Published: May 12, 2025

Stable Na+ Ion Storage via Dual Active Sites Utilization in Covalent Organic Framework-Carbon Nanotube Composite.

Stable Na+ Ion Storage via Dual Active Sites Utilization in Covalent Organic Framework-Carbon Nanotube Composite.

Journal: ChemSusChem
Published: October 28, 2024

Investigating Ionic Diffusivity in Amorphous LiPON using Machine-Learned Interatomic Potentials.

Investigating Ionic Diffusivity in Amorphous LiPON using Machine-Learned Interatomic Potentials.

Journal: ACS materials Au
Published: September 09, 2024

Topochemical Modulations from 1D Iron Fluoride Precursor to 3D Frameworks.

Topochemical Modulations from 1D Iron Fluoride Precursor to 3D Frameworks.

Journal: Inorganic chemistry
Published: July 22, 2024

Constructing and Evaluating Machine-Learned Interatomic Potentials for Li-Based Disordered Rocksalts.

Constructing and Evaluating Machine-Learned Interatomic Potentials for Li-Based Disordered Rocksalts.

Journal: Journal of chemical theory and computation
Published: May 24, 2024

A 3.2 V Binary Layered Oxide Cathode for Potassium-Ion Batteries.

A 3.2 V Binary Layered Oxide Cathode for Potassium-Ion Batteries.

Journal: Small (Weinheim an der Bergstrasse, Germany)
Published: March 20, 2024

Averting H+-Mediated Charge Storage Chemistry Stabilizes the High Output Voltage of LiMn2O4-Based Aqueous Battery.

Averting H+-Mediated Charge Storage Chemistry Stabilizes the High Output Voltage of LiMn2O4-Based Aqueous Battery.

Journal: Small methods
Published: March 05, 2024
Showing 1-12 of 22

Last Updated: 09/26/2026