Responsible persons:

• Teaching assistant: Assoc. Prof. Dr. Pham Vu Nhat
• Operation assistant: Dr. Nguyen Quoc Chau Thanh

Lecturers:

• Prof. Dr. Daniel Escudero Masa, KU Leuven, Belgium
• Assoc. Prof. Dr. Pham Vu Nhat, Can Tho University, Vietnam

Learning outcomes:

Upon completion of this course, the students are expected to be able to:

- Understand different approximation techniques used in molecular quantum mechanics;

- Identify and explain the main similarities and differences between computational approaches;

- Design and perform simple simulations using techniques appropriate to existing conditions;

- Interpret the calculated results;

- Critically read the current scientific literature on computational modeling and simulations.

Prospective students:

The students are familiar with the contents of basic quantum chemistry/physics.

• Bachelor degree students in Physic, Chemistry, Medicinal Chemistry
• Engineering students in Material Sciences
• Interested students (undergraduate, graduate) from other related fields

Course outline:

• This course consists of 4 topics, including:

- Potential Energy Surfaces and Born-Oppenheimer approximation

- The Hartree-Fock SCF method Part I & Part II

- Basis sets

- The post Hartree-Fock methods Part I & Part II

  Tentative schedule for the Molecular and Materials Modeling course