0000-0001-5254-3881 About
My research focuses to uncover fundamental strategies for achieving ultralow lattice thermal conductivity (κL) in thermoelectric (TE) materials by integrating advanced phonon engineering with the rational design of chemical bonding hierarchies To this end, we employed first principle DFT calculations, machine learning interatomic potentials, and machine learning algorithms to predict the properties of promising TE materials. This integrated approach allows for a deeper understanding of how atomic-scale bonding and lattice dynamics govern thermal transport. By establishing clear structure-property relationships, my work provides new design principles for the development of high-performance TE materials with intrinsically low κL.
Employment
Employment history is unavailable.
Education
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Indian Institute of Technology Indore Research Scholar2021 - 2026
Projects & Funding
Projects & funding information is unavailable.
Publications (24)
- Unraveling Scaling Relationships in Dual-Atom Catalysts with Electronic Descriptors: A Machine Learning Investigation for OER/ORR Activity Save
- Deciphering Key Descriptors for Scaling Relationships in Graphene‐Supported Ptn Clusters via Machine Learning Save
- Vertically Grown Face‐To‐Face Nano‐Assembly of In(OH)3 and NiFe‐LDH Enables Interfacial Charge Separation for Enhanced Alkaline and Seawater Electrolysis Save
- Tailoring an iron-based metal–organic framework for a Zn-ORR/CER battery Save
- Unravelling lone pair induced bonding effects on thermal conductivity in metal chalcogenides using machine learning potentials Save
- Cross-Property Transfer Learning and Generative Crystal Design for Accelerated Discovery of Low-Thermal-Conductivity Materials Save
- Exposure of Active Metal Sites on Cu14 Nanoclusters for Highly Selective Electrocatalytic Nitrate Reduction Save
- Antibonding States Drive Anharmonicity and Low Thermal Conductivity in Edge-Sharing Metal Chalcogenides Save
- Machine Learning-Guided Discovery of Alloy Nanoclusters: Steering Morphology-Based Activity and Selectivity Relationships in Bifunctional Electrocatalysts Save
- Exploring Combined Stereochemically Active Lone-Pair and Rattling Effects in Thermoelectrics with Machine Learning Potentials Save