DateClassAssignment is outDue dates
Thu 2.11 Introduction. Basics of quantum chemistry Homework 1
Fri 3.11 Hartree-Fock and post-HF Team project 1
Tue 7.11 Density functional theory Homework 2 Homework 1a
Thu 9.11 Excited states and dynamics Homework 1b
Fri 10.11 Computational chemistry of molecules
Tue 14.11 Presentation of team projects 1 Homework 3 Homework 2
Thu 16.11 Computational chemistry of molecules Team project 2 Team project 1
Fri 17.11 Computational chemistry of crystals
Tue 21.11 Computational chemistry of crystals Homework 4 Homework 3
Thu 23.11 Tight binding and semiempirical methods
Fri 24.11 Classical molecular mechanics
Tue 28.11 Presentation of team projects 2 Homework 5 Homework 4
Thu 30.11 Molecular dynamics Team project 3 Team project 2
Fri 1.12 Defects in solids (Dmitry Aksenov) Project proposal
Tue 5.12 Chemical reactions (Olga Mazaleva)
Thu 7.12 Modeling of organic semiconductors (Andriy Zhugayevych)
Fri 8.12 Machine learning approaches (Alexander Shapeev) Final project Project proposal
Tue 12.12 Presentation of team projects 3 Homework 5
Thu 14.12 Special or guest lecture or training or advisory Team project 3
Fri 15.12 Advisory on final project
Tue 19.12 Advisory on final project
Thu 21.12 Presentation of final projects (30 min/student)
Fri 22.12 Advisory on final reports
Sun 24.12 No class Final project

Blocks: Computational Chemistry, Materials Modeling, Assessment period (Final Project)

Abbreviations: CC = Computational Chemistry, HF = Hartree-Fock, MD = Molecular Dynamics, QC = Quantum Chemistry

Guest lectures in previous years:

Other lectures: