Molecular & Material Modeling

Responsible persons:

  • Teaching assistant: Assoc. Prof. Dr. Pham Vu Nhat

Email:; Tel: 0939634524

  • Operation assistant: Dr. Nguyen Quoc Chau Thanh

Email:; Tel: 0909747547


  • Dr. Daniel Escudero Masa, KULeuven, Belgium

Learning outcomes:

To provide working knowledge and hands-on experience so that by the end of the course students are expected to be able to:

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

– Extract and analyze molecules/materials properties from the simulations;

– Interpret the calculated results;

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

Prospective students:

  • Master students in Physical & Theoretical Chemistry/Physics
  • Interested students (undergraduate, graduate) from other related fields such as Material Sciences, Chemical Engineering

Previous knowledge: Be familiar with basic quantum chemistry/physics