72 citations · 111 across the 4 of their papers we have counts for
4 papers
Large Language Model-Based Evolutionary Optimizer: Reasoning with elitism
Shuvayan Brahmachary, Subodh M. Joshi, Aniruddha Panda +6
Large Language Models (LLMs) have demonstrated remarkable reasoning abilities, prompting interest in their application as black-box optimizers. This paper asserts that LLMs possess…
Potential energy surface prediction of Alumina polymorphs using graph neural network
Soumya Sanyal, Arun Kumar Sagotra, Narendra Kumar +9
The process of design and discovery of new materials can be significantly expedited and simplified if we can learn effectively from available data. Deep learning (DL) approaches ha…
Prediction of large barocaloric effects in thermoelectric superionic materials
Jie Min, Arun K. Sagotra, Claudio Cazorla
We predict the existence of large barocaloric effects above room temperature in the thermoelectric fast-ion conductor CuSe by using classical molecular dynamics simulations a…
Influence of lattice dynamics on lithium-ion conductivity: A first-principles study
Arun K. Sagotra, Dewei Chu, Claudio Cazorla
In the context of novel solid electrolytes for solid-state batteries, first-principles calculations are becoming increasingly more popular due to their ability to reproduce and pre…