Introduction to Gaussian Distribution
Introduction to Gaussian & Drug Discover: Theory and Practice” will be held at Department of Chemistry, BUET, Dhaka, on 15th February, 2020. Researchers at all levels from academic and industrial sectors are welcome.
The workshop will cover the methods available in the Gaussian. The workshop is structured to provide an introduction to electronic structure theory as well as a hands-on review for researchers active in the field, and will focus on methods for computing energies, exploring energy landscapes, studying molecular properties, and practical user considerations.
Outline of Workshop Topics
- Introduction to Gaussian
- Wave function and Orbital Analysis
- Vibrational Spectroscopy
- NMR and Magnetic Properties
- Optical and UV Spectra
- Basics of Running Gaussian Calculations
- DFT Geometries and Frequencies
- Drug Discover: PyMOL, PyRx, Discover Studio
Workshop materials, Participant Certificate, Coffee breaks and lunch will be provided.
Registration Information
Registration will be handled locally for this workshop. Registration payment must be sent by hand or BKash before 5th February, 2020.
The number of participants will be limited. Registration is expected to fill and is on a first-come, first-served basis.
Email: abimran@chem.buet.ac.bd
Phone: 9665614, Extension: 7568
Academic Faculty: Tk. 500 per person and Students: Tk. 300 per person
(Cash or bKash to Mr. Masud Hasan 01756872552)
Coordinator
Dr. Abu Bin Imran
Associate Professor
Department of Chemistry
Bangladesh University of Engineering and technology (BUET)
Instructors
Mohammad Mazharol Haque
Assistant Professor, Dhaka City College
PhD Student
Department of Chemistry
Bangladesh University of Engineering and technology (BUET)
Ajoy Kumer
Senior Lecturer, European University of Bangladesh (EUB)
M.Phil (BUET), M.Sc, B.Sc (CU)
Ashutosh Nath
M.Sc (BUET), B.Sc (NU)