Recent content

TypeTitleAuthorRepliesLast updated
Alumni pageYu Jin hjklol04 hours 10 min ago
Alumni pageLydia Chan hjklol04 hours 10 min ago
TutorialmolSimplify Tutorial 7: Easy ligand functionalization in molSimplify jpjanet06 days 11 hours ago
News BlurbFang Liu joins the group as a postdoc! hjklol01 week 5 days ago
TutorialmolSimplify Tutorial 6: Placing structures on slabs jpjanet02 weeks 2 days ago
News BlurbThe I&ECR "class of influential researchers" virtual issue featuring the group's work is out! hjklol02 weeks 5 days ago
BiblioRecovering the flat plane condition in electronic structure theory at semi-local DFT cost hjklol02 weeks 5 days ago
ArticleMore about our group hjklol03 weeks 12 hours ago
Basic pageAbout Heather hjklol03 weeks 6 days ago
News BlurbHeather gives the Brown Chemistry Dept. Colloquium hjklol04 weeks 9 hours ago
News BlurbThe group's research has been featured in MIT News! hjklol01 month 9 hours ago
BiblioQuantifying electronic effects in QM and QM/MM biomolecular modeling with the Fukui function hjklol01 month 1 week ago
ArticleResearch in the Kulik group hjklol01 month 1 week ago
BiblioResolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure-Property Relationships hjklol01 month 4 weeks ago
News BlurbHeather co-organizes the MolSSI-funded "Coding Solvation" workshop in Livorno, Italy, a WATOC-satellite meeting. hjklol02 months 3 days ago
News BlurbQing, Jeong Yun, JP, and Terry will give talks at ACS in Washington DC! hjklol02 months 3 days ago
ArticleAmorphous nanostructures from AIMD qingzhao02 months 1 week ago
ArticleKulik group (Lydia's farewell) - August 2017 hjklol02 months 1 week ago
BiblioUnifying Exchange Sensitivity in Transition Metal Spin-State Ordering and Catalysis Through Bond Valence Metrics hjklol02 months 1 week ago
ArticleConceptual DFT for systematic modeling hjklol02 months 2 weeks ago
News BlurbHeather gives an invited talk at ACTC! hjklol02 months 3 weeks ago
BiblioPredicting Electronic Structure Properties of Transition Metal Complexes with Neural Networks Anonymous (not verified)02 months 4 weeks ago
News BlurbTerry awarded a prestigious NUS-Overseas Graduate Scholarship! hjklol03 months 1 week ago
News BlurbHelena and Masha's invited QM/MM paper just accepted! hjklol03 months 2 weeks ago
News BlurbYu Jin joins us for the summer from Peking University! hjklol03 months 3 weeks ago


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: