Aik Rui Tan

Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design

Wei Chen, Aik Rui Tan, Andrew L. Ferguson · The Journal of Chemical Physics · 2018 · 145 citations

Representations of Materials for Machine Learning

James Damewood, Jessica Karaguesian, Jaclyn R. Lunger et al. · Annual Review of Materials Research · 2023 · 94 citations · Full text

Artificial Intelligence, Materials Science, Materials Science Vary +12

Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

Aik Rui Tan, Shingo Urata, Samuel Goldman et al. · npj Computational Materials · 2023 · 69 citations · Full text

Suppression of Rayleigh Scattering in Silica Glass by Codoping Boron and Fluorine: Molecular Dynamics Simulations with Force-Matching and Neural Network Potentials

Shingo Urata, Nobuhiro Nakamura, Tomofumi Tada et al. · The Journal of Physical Chemistry C · 2022 · 18 citations

Engineering, Physics, Glass Transition +15

Modifying ring structures in lithium borate glasses under compression: MD simulations using a machine-learning potential

Shingo Urata, Aik Rui Tan, Rafael Gómez‐Bombarelli · Physical Review Materials · 2024 · 10 citations