Troy D. Loeffler

Machine learning enabled autonomous microstructural characterization in 3D samples

Henry Chan, Mathew J. Cherukara, Troy D. Loeffler et al. · npj Computational Materials · 2020 · 399 citations · Full text

Machine learning coarse grained models for water

Henry Chan, Mathew J. Cherukara, Badri Narayanan et al. · Nature Communications · 2019 · 185 citations · Full text

Machine learning overcomes human bias in the discovery of self-assembling peptides

Rohit Batra, Troy D. Loeffler, Henry Chan et al. · Nature Chemistry · 2022 · 129 citations · Full text

Artificial Intelligence, Self-assembling Peptides, Engineering +13

Inverse design of metasurfaces with non-local interactions

Haogang Cai, Srilok Srinivasan, David A. Czaplewski et al. · npj Computational Materials · 2020 · 82 citations · Full text

Improved Monte Carlo Scheme for Efficient Particle Transfer in Heterogeneous Systems in the Grand Canonical Ensemble: Application to Vapor–Liquid Nucleation

Troy D. Loeffler, Aliasghar Sepehri, Bin Chen · Journal of Chemical Theory and Computation · 2015 · 56 citations

Efficient Particle Transfer, Engineering, Particle Swap Moves +23