Heather J. Kulik

Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent Hubbard<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>U</mml:mi></mml:math>Approach

Heather J. Kulik, Matteo Cococcioni, Damián A. Scherlis et al. · Physical Review Letters · 2006 · 636 citations · Full text

Understanding the diversity of the metal-organic framework ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka et al. · Nature Communications · 2020 · 546 citations · Full text

Protection of tissue physicochemical properties using polyfunctional crosslinkers

Young-Gyun Park, Chang Ho Sohn, Ritchie Chen et al. · Nature Biotechnology · 2018 · 456 citations · Full text

Tissue Engineering, Engineering, Cross-link +5

Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships

Jon Paul Janet, Heather J. Kulik · The Journal of Physical Chemistry A · 2017 · 297 citations · Full text

molSimplify: A toolkit for automating discovery in inorganic chemistry

Efthymios I. Ioannidis, Terry Z. H. Gani, Heather J. Kulik · Journal of Computational Chemistry · 2016 · 265 citations