Assessment of chemistry knowledge in large language models that generate code AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ... Digital Discovery 2 (2), 368-376, 2023 | 63* | 2023 |
Graph neural network based coarse-grained mapping prediction Z Li, GP Wellawatte, M Chakraborty, HA Gandhi, C Xu, AD White Chemical science 11 (35), 9524-9531, 2020 | 45 | 2020 |
Social and tactile mixed reality increases student engagement in undergraduate lab activities R Barrett, HA Gandhi, A Naganathan, D Daniels, Y Zhang, C Onwunaka, ... Journal of Chemical Education 95 (10), 1755-1762, 2018 | 41 | 2018 |
Real-time interactive simulation and visualization of organic molecules HA Gandhi, S Jakymiw, R Barrett, H Mahaseth, AD White Journal of Chemical Education 97 (11), 4189-4195, 2020 | 27 | 2020 |
A perspective on explanations of molecular prediction models GP Wellawatte, HA Gandhi, A Seshadri, AD White Journal of Chemical Theory and Computation 19 (8), 2149-2160, 2023 | 24 | 2023 |
Explaining molecular properties with natural language HA Gandhi, AD White | 15* | 2022 |
Iterative symbolic regression for learning transport equations M Ansari, HA Gandhi, DG Foster, AD White AIChE Journal 68 (6), e17695, 2022 | 14 | 2022 |
Plasma gasification: from a dirty city to a heavenly place and from waste solids to clean fuel HA Gandhi International Journal for Innovative Research in Science & Technology 1, 18-24, 2015 | 12 | 2015 |
Extraction of Silica from Rice Husk Ash H Gandhi, P Harshali, S Purohit, AN Tamaskar Journal of Basic and Applied Engineering Research 2 (4), 330-333, 2015 | 11 | 2015 |
Hoomd-tf: Gpu-accelerated, online machine learning in the hoomd-blue molecular dynamics engine R Barrett, M Chakraborty, D Amirkulova, H Gandhi, G Wellawatte, A White Journal of Open Source Software 5 (51), 2020 | 7* | 2020 |
City-Wide Modeling of Vehicle-to-Grid Economics to Understand Effects of Battery Performance HA Gandhi, AD White ACS Sustainable Chemistry & Engineering 9 (44), 14975-14985, 2021 | 5 | 2021 |
Why does that molecule smell? A Seshadri, HA Gandhi, GP Wellawatte, AD White | 2 | 2022 |
Interpretable Machine Learning for Chemistry and Chemical Engineering HA Gandhi University of Rochester, 2022 | | 2022 |
Book Chapter: Pretraining HA Gandhi, S Cox, AD White Deep Learning for Molecules and Materials 3, 1499, 2021 | | 2021 |
Exploration of Interresidual Contacts in Combined Coarse Graining and Experiment Directed Simulations of Aβ42 D Amirkulova, A White, H Gandhi 2019 AIChE Annual Meeting, 2019 | | 2019 |
Effects of Coexisting Familial Mutants on Wild Type Amyloidβ21-30 Assembly M Chakraborty, H Gandhi, D Amirkulova, A White 2019 AIChE Annual Meeting, 2019 | | 2019 |
Simview VR: a Software Pipeline for Virtual Reality Real-Time Molecular Dynamics Simulation and Visualization of Arbitrary Molecules H Gandhi, R Barrett, A White 2019 AIChE Annual Meeting, 2019 | | 2019 |
HOOMD-TF: Online Machine Learning in Molecular Dynamics Simulations R Barrett, M Chakraborty, D Amirkulova, H Gandhi, A White 2019 AIChE Annual Meeting, 2019 | | 2019 |
Social and Tactile Augmented Reality in an Undergraduate Chemical Engineering Laboratory R Barrett, H Gandhi, A White 2018 AIChE Annual Meeting, 2018 | | 2018 |
Stochastic Statistical Models of Vehicle-to-Grid Economics for Predicting Impact of Policy and Renewables Portfolio H Gandhi, A White 2018 AIChE Annual Meeting, 2018 | | 2018 |