DFT Course

The Institute of Materials Informatics (IMI) is pleased to announce a 2-month Certificate Course in Computational Chemistry, focusing on Density Functional Theory (DFT) with hands-on training using the ORCA code. This structured program is designed for undergraduate and graduate students, early-career researchers, and faculty members seeking to strengthen their expertise in computational chemistry and electronic structure methods.

📌 Course Structure

• Month 1: Intensive training in DFT fundamentals, basis sets, exchange-correlation functionals, and practical simulations using the ORCA code.

• Month 2: Guided project work, enabling participants to apply their skills to real research projects in computational chemistry, physics, and materials science.
  
  

🎯 Learning Outcomes

• Develop a strong theoretical foundation in DFT.

• Gain hands-on experience with ORCA, Avogadro, and related tools.

• Perform molecular simulations, spectroscopy calculations (IR, Raman, and UV-Vis spectra), electronic structure analysis (HOMO-LUMO, electron density), and thermochemistry.

• Hands-on sessions on computing non-linear (NLO) optical properties, catalytic activity, and ab initio molecular dynamics (AIMD) simulations.

• Complete a guided project and earn a Certificate of Completion.
  
  

🕒 Session: The course will officially begin on 05 November 2026, with classes scheduled at 7:00 PM (GMT +6:00, Dhaka Time).

💻 Mode: Online (Live interactive classes)  

🔗 Registration

Registration is now open. Seats are limited and will be allocated on a first-come, first-served basis. Register early to secure your place. The registration fee is 80$.

🗓️ Registration Deadline: 31 October 2026