2 papers
cond-mat.mtrl-sci2024
SG-NNP: Species-separated Gaussian Neural Network Potential with Linear Elemental Scaling and Optimized Dimensions for Multi-component Materials
Ji Wei Yoon, Bangjian Zhou, J Senthilnath
Accurate simulations of materials at long-time and large-length scales have increasingly been enabled by Machine-learned Interatomic Potentials (MLIPs). There have been increasing…
physics.app-ph2024
Explainable machine learning to enable high-throughput electrical conductivity optimization and discovery of doped conjugated polymers
Ji Wei Yoon, Adithya Kumar, Pawan Kumar +3
The combination of high-throughput experimentation techniques and machine learning (ML) has recently ushered in a new era of accelerated material discovery, enabling the identifica…