2024
CCFN: Depression Detection via Multimodal Fusion with Complex-valued Capsule Network.
Proceedings of the International Joint Conference on Neural Networks, 2024

SE-DCFN: Semantic-Enhanced Dual Cross-modal Fusion Network for Depression Recognition.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2024

2022
TorsionNet: A Deep Neural Network to Rapidly Predict Small-Molecule Torsional Energy Profiles with the Accuracy of Quantum Mechanics.
J. Chem. Inf. Model., 2022

2020
Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability.
J. Comput. Chem., 2020

2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations.
J. Chem. Inf. Model., 2019

2008
Explicit ion, implicit water solvation for molecular dynamics of nucleic acids and highly charged molecules.
J. Comput. Chem., 2008