Heather J Kulik

145PUBLICATIONS
242CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterOrganic semiconductorsBiologically active moleculesChemical engineering designComputational chemistry
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Publications (145)

|Sep 14, 2026
BOS-TMC Data Set: DFT Properties of 159k Experimentally Characterized Transition Metal Complexes Spanning Multiple Charge and Spin States.

|Sep 09, 2026
Engineering In-Plane Anisotropy in 2D Materials via Surface-Bound Ligands.

|Sep 02, 2026
Exploring chemical space for iridium(iii) complexes: a direct-to-biology (D2B) approach to identifying anticancer and antibacterial agents.

|Aug 26, 2026
Enhancing materials discovery with valence-constrained design in generative modeling.

|Aug 12, 2026
Robust generative transition-state models for unseen chemistry.

|Aug 12, 2026
Low Confinement and Strong Pore Hydrophilicity Drive Intrinsic Water Permeability Inside Cage-Like Metal-Organic Frameworks.

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Frequent Collaborators

32 joint publications

Aditya Nandy

27 joint publications

Chenru Duan

14 joint publications

Ilia Kevlishvili

13 joint publications

David W Kastner