Reliable machine learning potentials based on artificial neural network for graphene

A Singh, Y Li - Computational Materials Science, 2023 - Elsevier
Graphene is one of the most researched two dimensional (2D) material in the past two
decades due to its unique combination of mechanical, thermal and electrical properties …

Multiscale computational modeling techniques in study and design of 2D materials: recent advances, challenges, and opportunities

MA Zaeem, S Thomas, S Kavousi, N Zhang… - 2D …, 2024 - iopscience.iop.org
This article provides an overview of recent advances, challenges, and opportunities in
multiscale computational modeling techniques for study and design of two-dimensional (2D) …

Machine Learning Potentials for Graphene

A Singh, Y Li - ASME International Mechanical …, 2022 - asmedigitalcollection.asme.org
Graphene has been one of the most researched material in the world for the past two
decades due to its unique combination of mechanical, thermal and electrical properties …

Multiphysics-Informed Machine Learning for Battery Design and Health Monitoring

P Bansal, Y Li - International Design Engineering …, 2023 - asmedigitalcollection.asme.org
Abstract Current Lithium-ion battery (LIBs) designs are nearing the end of their performance
capabilities. As the application and demand on these LIBs are growing continuously, there is …

Multiphysics-informed Machine Learning for Uncertainty Quantification on Si Anode Based Battery Performance

P Bansal, Y Li - AIAA SCITECH 2024 Forum, 2024 - arc.aiaa.org
The increasing demand for Li-ion batteries (LIBs) has prompted a need for advancements in
their design and technology. One such improvement involves utilizing Silicon (Si) as the …

Multiphysics-Informed Machine Learning for Mechanical-Induced Degradation of Silicon Anode

P Bansal, Y Li - ASME International Mechanical …, 2023 - asmedigitalcollection.asme.org
Silicon (Si) anode based lithium-ion batteries (LIBs) are being developed and used in
various portable electronic technologies because of their better life cycle performance and …

Machine Learning Accelerated Atomistic Simulations for 2D Materials With Defects

S Sun, A Singh, Y Li - … Engineering Congress and …, 2023 - asmedigitalcollection.asme.org
Abstract 2D materials generally show very different physical and chemical properties from
3D materials, which provide them promising applications in cutting-edge technology areas …

Feature Importance and Uncertainty Quantification of Machine Learning Model in Materials Science

Z Liu, A Singh, Y Li - … Engineering Congress and …, 2023 - asmedigitalcollection.asme.org
Abstract Machine learning has emerged as a powerful tool in material science for novel
materials discovery and development. Specifically, interatomic force field potentials have …