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Himaghna Bhattacharjee
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Year
Nitrogen doped graphene supported α-MnO 2 nanorods for efficient ORR in a microbial fuel cell
RK Gautam, H Bhattacharjee, SV Mohan, A Verma
RSC advances 6 (111), 110091-110101, 2016
692016
Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning
Q Li, G Wittreich, Y Wang, H Bhattacharjee, U Gupta, DG Vlachos
ACS Sustainable Chemistry & Engineering 9 (8), 3043-3049, 2021
62021
Regularized machine learning on molecular graph model explains systematic error in DFT enthalpies
H Bhattacharjee, N Anesiadis, DG Vlachos
Scientific reports 11 (1), 1-10, 2021
52021
Thermochemical Data Fusion Using Graph Representation Learning
H Bhattacharjee, DG Vlachos
Journal of Chemical Information and Modeling 60 (10), 4673-4683, 2020
32020
AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets
H Bhattacharjee, J Burns, DG Vlachos
Computer Physics Communications, 108579, 2022
12022
Interpretable Model for Molecular Data Fusion
H Bhattacharjee, D Vlachos
2020 Virtual AIChE Annual Meeting, 2020
2020
Study of Density Functional Errors in Microkinetic Modeling: A Data Driven Approach
H Bhattacharjee, D Vlachos
2019 AIChE Annual Meeting, 2019
2019
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H Bhattacharjee, J Burns
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Articles 1–8