DateClassAssignmentDue date, 6am
Tue 30.10 Introduction. Basics of quantum chemistry (ST/AZ) Homework 1
30.10 Machine learning approaches (ST, 4pm@402)
Thu 1.11 Hartree-Fock and post-HF (ST/NT) Team project 1
Fri 2.11 Density functional theory (ST/NT) Homework 2 Homework 1a
Tue 6.11 Excited states and dynamics (ST/NT) Homework 1b
Thu 8.11 Computational chemistry of molecules (ST/NT)
8.11 Modeling of proteins (Alexander Nemukhin, 4pm@402)
Fri 9.11 Computational chemistry of molecules (ST/NT)
Tue 13.11 Presentation of team projects 1 Homework 3 Homework 2
Thu 15.11 Computational chemistry of crystals (AZ/AS) Team project 2 Team project 1
8.11 Modeling of perovskites (Sergei Tretiak, 4pm@402)
Fri 16.11 Computational chemistry of crystals (AZ/AS)
Tue 20.11 Tight binding and semiempirical methods (AZ/AZ) Homework 4 Homework 3
Thu 22.11 Classical molecular mechanics (AZ/AN)
Fri 23.11 Molecular dynamics (AZ/AN)
Tue 27.11 Presentation of team projects 2 Homework 5 Homework 4
Thu 29.11 Structure prediction (Nikita Matsko) Team project 3 Team project 2
Fri 30.11 Defects in solids (Dmitry Aksenov) Project proposal
Tue 4.12 Multireference methods (Alexandra Freidzon)
Thu 6.12 Chemical reactions (Olga Mazaleva)
Fri 7.12 Machine learning approaches (Alexander Shapeev) Final project Proposal, 6pm
Tue 11.12 Presentation of team projects 3 + Exam Homework 5
Thu 13.12 Modeling of organic semiconductors (AZ) Team project 3
Fri 14.12 Special or guest lecture or training or advisory
Tue 18.12 Advisory on final project
Thu 20.12 Presentation of final projects (30 min/student)
Fri 21.12 Advisory on final report
24.12 No class (final project reports are due) Final project

Blocks: Computational Chemistry, Materials Modeling, Assessment period (final project)

Lectures from previous years:

Other activities: