Heather J Kulik

151PUBLICATIONS
249CO-AUTHORS
Molecular and organic electronicsReaction engineering (excl. nuclear reactions)Deep learningComputational chemistryPolymerisation mechanisms
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (151)

|Oct 28, 2026
Dynamic charge distribution as a key driver of catalytic reactivity in an artificial metalloenzyme.

|Oct 27, 2026
Enerzyme: An Efficient Reactive Neural Network Potential Training Framework for Enzyme Cluster Models with Application to Methyltransferases.

|Oct 26, 2026
ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification across the Periodic Table.

|Oct 24, 2026
Physics-based molecular fingerprints from spectral graph theory provide efficient geometry-aware measures of chemical similarity.

|Oct 23, 2026
Computational Design of N-Heterocyclic Carbene Mechanocatalysts.

|Oct 23, 2026
The Key Role of Solvation in Enhancing Electrochemical Promotion of Brønsted Acid Catalysis.

Pageof 26

Frequent Collaborators

32 joint publications

Aditya Nandy

27 joint publications

Chenru Duan

14 joint publications

David W Kastner

14 joint publications

Ilia Kevlishvili