Publications

White, A. D., Hocky, G. M., Gandhi, H. A.,Ansari, M., Cox, S., Wellawatte, G. P., Sasmal, S., Yang, Y., Liu, K., Singh, Y. and Peña Ccoa, W. J. Assessment of chemistry knowledge in large language models that generate code Digital Discovery, 2, 368-376 (2023).

Wellawatte, G. P., Gandhi, H. A. & White, A. D. A Perspective on Explanations of Molecular Prediction Models. Journal of Chemical Theory and Computation, 19, 8, 2149-2160 (2023).

Gandhi, H. A. & White, A. D. Explaining structure-activity relationships using locally faithful surrogate models. ChemRxiv (2022).

Gandhi, H. A.^*, Ansari, M.^*, Foster, D. G. & White, A. D. Iterative symbolic regression for learning transport equations. AIChE Journal, e17695 (2022).

Gandhi, H. A. & White, A. D. City-wide modeling of vehicle-to-grid economics to understand effects of battery performance. ACS Sustainable Chemistry and Engineering 9, 44, 14975–14985 (2021).

Gandhi, H. A., Jakymiw, S., Barrett, R., Mahaseth, H. & White, A. D. Real-time interactive simulation and visualization of organic molecules. Journal of Chemical Education 97, 11, 4189–4195(2020).

Barrett, R., Chakraborty, M., Amirkulova, D., Gandhi, H. A., Wellawatte, G. & White, A. Hoomd-tf: GPU-accelerated, online machine learning in the hoomd-blue molecular dynamics engine. Journal of Open Source Software 5, (2020).

Li, Z., Wellawatte, G. P., Chakraborty, M., Gandhi, H. A., Xu, C. & White, A. D. Graph neural network based coarse-grained mapping prediction. Chemical Science 11, 9524–9531 (2020).

Barrett, R., Gandhi, H. A., Naganathan, A., Daniels, D., Zhang, Y., Onwunaka, C., Luehmann, A. & White, A. D. Social and tactile mixed reality increases student engagement in undergraduate lab activities. Journal of Chemical Education 95, 1755–1762 (2018).

Gandhi, H. A. Plasma gasification: from a dirty city to a heavenly place and from waste solids to clean fuel International Journal for Innovative Research in Science & Technology, 1, 11, 18-24 (2015).