10.637: Quantum Chemical Simulation, Lecture 1

Tuesday, April 7, 2015

This is an introduction and overview to the course 10.637: Quantum Chemical Simulation, which I taught in Fall 2014 at MIT. I will offer this course again in Fall 2015. The course is a mixed theoretical and practical course with six lab exercises spanning force fields to ab initio molecular dynamics. I hope you enjoy the materials! Lecture 1 of 10.637: Quantum Chemical Simulation.

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: