| 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 | 85 | 2016 |
| 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 | 15 | 2021 |
| 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 | 12 | 2021 |
| Thermochemical data fusion using graph representation learning H Bhattacharjee, DG Vlachos Journal of Chemical Information and Modeling 60 (10), 4673-4683, 2020 | 8 | 2020 |
| AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets H Bhattacharjee, J Burns, DG Vlachos Computer Physics Communications 283, 108579, 2023 | 7 | 2023 |
| 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 | 7 | 2016 |
| 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 | 2 | 2023 |
| 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 |
| Project links H Bhattacharjee, J Burns | | |
Dionisios G. VlachosUniversity of DelawareVerified email at udel.edu
