Scholar
Heather J. Kulik
Google Scholar ID: 4LQSv6sAAAAJ
Chemical Engineering and Chemistry, Massachusetts Institute of Technology
computational chemistry
transition metal chemistry
molecular design
density functional theory
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Citations
12,253
H-index
57
i10-index
163
Publications
20
Co-authors
184
list available
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Publications
3 items
Enerzyme: A Framework for Efficient Training of Reactive Neural Network Potentials for Enzyme Catalysis with Application to Methyltransferases
2026
Cited
0
ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table
2026
Cited
0
Enhancing Materials Discovery with Valence Constrained Design in Generative Modeling
2025
Cited
0
Resume (English only)
Co-authors
184 total
Aditya Nandy
Assistant Professor of Chemical and Biomolecular Engineering at UCLA
Jon Paul Janet
AstraZeneca R&D
Chenru Duan
Deep Principle; MIT
Co-author 4
Co-author 5
Nicola Marzari
École Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)
Co-author 7
Co-author 8