Siddhartha Laghuvarapu, Yashaswi Pathak, U. Deva Priyakumar. BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules. Journal of Computational Chemistry, 41(8):790-799, 2020. [doi]
@article{LaghuvarapuPP20,
title = {BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules},
author = {Siddhartha Laghuvarapu and Yashaswi Pathak and U. Deva Priyakumar},
year = {2020},
doi = {10.1002/jcc.26128},
url = {https://doi.org/10.1002/jcc.26128},
researchr = {https://researchr.org/publication/LaghuvarapuPP20},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {41},
number = {8},
pages = {790-799},
}