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 · 650 citations · Full text

Natural Sciences, Chemistry, Physics +17

Understanding the diversity of the metal-organic framework ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka et al. · Nature Communications · 2020 · 589 citations · Full text

Natural Sciences, Chemistry, Ecology +15

Protection of tissue physicochemical properties using polyfunctional crosslinkers

Young-Gyun Park, Chang Ho Sohn, Ritchie Chen et al. · Nature Biotechnology · 2018 · 473 citations · Full text

Natural Sciences, Bioengineering, Biomedical Engineering +14

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 · 311 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

molSimplify: A toolkit for automating discovery in inorganic chemistry

Efthymios I. Ioannidis, Terry Z. H. Gani, Heather J. Kulik · Journal of Computational Chemistry · 2016 · 275 citations

Pharmacy, Chemistry, Computational Chemistry +13