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TypeTitleAuthorRepliesLast updated
News BlurbHelena and Masha's invited QM/MM paper just accepted! hjklol01 day 4 hours ago
BiblioQuantifying electronic effects in QM and QM/MM biomolecular modeling with the Fukui function hjklol01 day 4 hours ago
TutorialmolSimplify Tutorial 2: Slab Builder jpjanet01 week 6 days ago
TutorialTheoretical Infrared Spectroscopy hjklol02 weeks 1 day ago
News BlurbWelcome Lydia for the Summer! hjklol02 weeks 2 days ago
Alumni pageTim Ioannidis hjklol02 weeks 4 days ago
Alumni pageLisi Xie hjklol02 weeks 4 days ago
TutorialNew Installation Option for molSimplify Anonymous (not verified)03 weeks 10 hours ago
TutorialmolSimplify Tutorial 1: Structure Generation Anonymous (not verified)03 weeks 10 hours ago
TutorialmolSimplify: introduction Anonymous (not verified)03 weeks 10 hours ago
ArticleWatching QDs form with AIMD Anonymous (not verified)03 weeks 10 hours ago
BiblioHarnessing Organic Ligand Libraries for First-Principles Inorganic Discovery: Indium Phosphide Quantum Dot Precursor Design Strategies hjklol03 weeks 2 days ago
BiblioPredicting Electronic Structure Properties of Transition Metal Complexes with Neural Networks Anonymous (not verified)03 weeks 2 days ago
News BlurbJP's ANN paper just accepted to Chemical Science! hjklol03 weeks 2 days ago
TutorialmolSimplify Tutorial 5: Using machine learning to build better structures jpjanet01 month 1 day ago
ArticlePredicting electronic structure with ANNs hjklol01 month 1 day ago
Photos GalleryResearch Images hjklol01 month 4 days ago
BiblioModeling Mechanochemistry from First Principles hjklol01 month 1 week ago
BiblioLeveraging Cheminformatics Strategies for Inorganic Discovery: Application to Redox Potential Design hjklol01 month 1 week ago
News BlurbJeong-Yun's article accepted to Chemistry of Materials hjklol01 month 2 weeks ago
News BlurbI&ECR "Class of Influential Researchers" article accepted hjklol01 month 2 weeks ago
News BlurbMITEI seed fund awarded. hjklol01 month 2 weeks ago
ArticleMore about our group hjklol01 month 2 weeks ago
ArticleKulik Group @ MIT hjklol01 month 3 weeks ago
ArticleCurvature in DFT (JCP Ed. Choice 2016) hjklol01 month 4 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: