Recent content

TypeTitleAuthorRepliesLast updated
BiblioResolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure-Property Relationships hjklol02 days 14 hours ago
News BlurbHeather co-organizes the MolSSI-funded "Coding Solvation" workshop in Livorno, Italy, a WATOC-satellite meeting. hjklol06 days 17 hours ago
News BlurbQing, Jeong Yun, JP, and Terry will give talks at ACS in Washington DC! hjklol06 days 17 hours ago
ArticleAmorphous nanostructures from AIMD qingzhao02 weeks 20 hours ago
ArticleKulik group (Lydia's farewell) - August 2017 hjklol02 weeks 20 hours ago
ArticleMore about our group hjklol02 weeks 2 days ago
BiblioUnifying Exchange Sensitivity in Transition Metal Spin-State Ordering and Catalysis Through Bond Valence Metrics hjklol02 weeks 3 days ago
Alumni pageLydia Chan hjklol02 weeks 4 days ago
ArticleConceptual DFT for systematic modeling hjklol03 weeks 2 days ago
News BlurbHeather gives an invited talk at ACTC! hjklol01 month 17 hours ago
BiblioPredicting Electronic Structure Properties of Transition Metal Complexes with Neural Networks Anonymous (not verified)01 month 2 days ago
News BlurbTerry awarded a prestigious NUS-Overseas Graduate Scholarship! hjklol01 month 2 weeks ago
BiblioQuantifying electronic effects in QM and QM/MM biomolecular modeling with the Fukui function hjklol01 month 3 weeks ago
News BlurbHelena and Masha's invited QM/MM paper just accepted! hjklol01 month 3 weeks ago
News BlurbYu Jin joins us for the summer from Peking University! hjklol01 month 3 weeks ago
TutorialmolSimplify Tutorial 2: Slab Builder jpjanet02 months 2 weeks ago
TutorialTheoretical Infrared Spectroscopy hjklol02 months 2 weeks ago
News BlurbWelcome Lydia for the Summer! hjklol02 months 2 weeks ago
Alumni pageTim Ioannidis hjklol02 months 2 weeks ago
Alumni pageLisi Xie hjklol02 months 2 weeks ago
TutorialNew Installation Option for molSimplify Anonymous (not verified)02 months 3 weeks ago
TutorialmolSimplify Tutorial 1: Structure Generation Anonymous (not verified)02 months 3 weeks ago
TutorialmolSimplify: introduction Anonymous (not verified)02 months 3 weeks ago
ArticleWatching QDs form with AIMD Anonymous (not verified)02 months 3 weeks ago
BiblioHarnessing Organic Ligand Libraries for First-Principles Inorganic Discovery: Indium Phosphide Quantum Dot Precursor Design Strategies hjklol02 months 3 weeks ago

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About Us

The Kulik group focuses on the development and application of new electronic structure methods and atomistic simulations tools in the broad area of catalysis.

Our Interests

We are interested in transition metal chemistry, with applications from biological systems (i.e. enzymes) to nonbiological applications in surface science and molecular catalysis.

Our Focus

A key focus of our group is to understand mechanistic features of complex catalysts and to facilitate and develop tools for computationally driven design.

Contact Us

Questions or comments? Let us know! Contact Dr. Kulik: