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Technical Workshop on Materials Study Employing DFT Method with 'CASTEP'

Technical Workshop on Materials Study Employing DFT Method with 'CASTEP'
The Department of Materials Science & Engineering and RUET Materials Club Successfully Arrange Their First Technical Workshop on DFT.

On February 23, 2025, the RUET Materials Club marked a significant milestone by organizing its first-ever technical workshop at RUET. With over 90 students in attendance, the event was filled with enthusiasm, curiosity, and a shared passion for computational materials science.
The seminar was chaired by Dr. Md. Aminul Islam, Head of the Department of Materials Science & Engineering (MSE), and further graced by the presence of Dean of the Faculty of Mechanical Engineering, Dr. Md. Rokunuzzaman and S. M. Nasim Rokon (Asst. Professor, Dept. of MSE).
The highlight of the event was a session on materials simulation software, particularly CASTEP, which is essential for computational materials research. Before the technical discussions began, the Dean of the Faculty of Mechanical Engineering and other esteemed faculty members delivered short speeches, setting the stage for an insightful session ahead.
The keynote speaker, Professor Mirza Humaun Kabir Rubel from the University of Rajshahi, delivered a detailed and engaging talk on Density Functional Theory (DFT), explaining its significance in quantum mechanical atomistic simulations. His lecture covered atomic structure, band gaps, density of states, complex simulations, and data analysis using CASTEP, providing students with a deeper understanding of computational materials science.
Adding to the hands-on experience, Md. Nazmus Sakib, a senior student and research assistant, conducted a practical session on Materials Studio and its applications, offering valuable insights into electronic structure simulations. His demonstration, complemented by the notes provided by the keynote speaker, made complex concepts more accessible to attendees.
The seminar not only introduced students to state-of-the-art simulation techniques but also fostered opportunities for them to collaborate with seniors actively involved in computational materials research. Seeing the overwhelming response and enthusiasm, the RUET Materials Club looks forward to organizing more such workshops and seminars in the future, bridging the gap between textbook learning and practical research applications.


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Dr. Md. Rokunuzzaman, Dean of the Faculty of Mechanical Engineering, delivering his speech during the workshop.


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Participants and faculty members attentively engaging in the workshop session.