Scholar

Heather J. Kulik

Google Scholar ID: 4LQSv6sAAAAJ

Chemical Engineering and Chemistry, Massachusetts Institute of Technology

computational chemistrytransition metal chemistrymolecular designdensity functional theory

Homepage↗Google Scholar↗

Citations & Impact

All-time

Citations

12,253

H-index

57

i10-index

163

Publications

20

Co-authors

184

list available

Contact

No contact links provided.

Publications

4 items

Physics-Based Molecular Fingerprints from Spectral Graph Theory Provide Efficient Geometry-Aware Measures of Chemical Similarity

2026

Cited

0

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

Assistant Professor of Chemical and Biomolecular Engineering at UCLA

AstraZeneca R&D

Deep Principle; MIT

École Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)