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Himaghna Bhattacharjee
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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
902016
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
202021
Regularized machine learning on molecular graph model explains systematic error in DFT enthalpies
H Bhattacharjee, N Anesiadis, DG Vlachos
Scientific Reports 11 (1), 14372, 2021
142021
Thermochemical data fusion using graph representation learning
H Bhattacharjee, DG Vlachos
Journal of Chemical Information and Modeling 60 (10), 4673-4683, 2020
102020
AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets
H Bhattacharjee, J Burns, DG Vlachos
Computer Physics Communications 283, 108579, 2023
82023
Nitrogen doped graphene supported α-MnO2 nanorods for efficient ORR in a microbial fuel cell. RSC Adv 6: 110091–110101
RK Gautam, H Bhattacharjee, S Venkata Mohan, A Verma
82016
Machine learning validation via rational dataset sampling with astartes
JW Burns, KA Spiekermann, H Bhattacharjee, DG Vlachos, WH Green
Journal of Open Source Software 8 (91), 5996, 2023
72023
Addressing Challenges in Computational Catalysis Using Interpretable Machine Learning and Software Development
H Bhattacharjee
University of Delaware, 2023
2023
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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