Fast inverse design of microstructures via generative invariance networks XY Lee, JR Waite, CH Yang, BSS Pokuri, A Joshi, A Balu, C Hegde, ... Nature Computational Science 1 (3), 229-238, 2021 | 45 | 2021 |
Multi-fidelity machine learning models for structure–property mapping of organic electronics CH Yang, BSS Pokuri, XY Lee, S Balakrishnan, C Hegde, S Sarkar, ... Computational Materials Science 213, 111599, 2022 | 9 | 2022 |
Neural PDE solvers for irregular domains B Khara, E Herron, A Balu, D Gamdha, CH Yang, K Saurabh, A Jignasu, ... Computer-Aided Design 172, 103709, 2024 | 6 | 2024 |
BioTrove: A Large Curated Image Dataset Enabling AI for Biodiversity CH Yang, B Feuer, Z Jubery, ZK Deng, A Nakkab, MZ Hasan, ... arXiv preprint arXiv:2406.17720, 2024 | 3 | 2024 |
In the Mix: A Workshop Merging Computational Chemistry and Electrochemistry Alongside Data Science R Duke, A Sweet, NC Stumme, R Ordikhani-Seyedlar, S Chattopadhyay, ... Journal of chemical education 101 (11), 5060-5067, 2024 | 1 | 2024 |
Google Trends as an Early Indicator of African Swine Fever Outbreaks in Southeast Asia AMP Chia-Hui Hsu, Chih-Hsuan Yang Frontiers in Veterinary Science, 2024 | 1 | 2024 |
MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules CH Yang, R Duke, P Sornberger, M Ogbaje, C Risko, ... | | 2025 |
Evaluating molecular similarity measures: Do similarity measures reflect electronic structure properties? R Duke, CH Yang, B Ganapathysubramanian, C Risko | | 2025 |
Deep Reinforcement Learning Exploration in Continuous Latent Space for Molecular Design HJ Yang, CH Yang, P Sornberger, R Duke, C Risko, ... | | 2023 |
Physics informed neural networks for extracting phenomenological models from molecular dynamics simulations. CH Yang, B Pokuri, S Li, M Bazant, C Risko, B Ganapathysubramanian National Congress on Computational Mechanics, 2021 | | 2021 |
MolGen-Transformer: An open-source self-supervised model for Molecular Generation and Latent Space Exploration CH Yang, R Duke, PD Sornberger, M Ogbaje, C Risko, ... AI for Accelerated Materials Design-NeurIPS 2024, 0 | | |