Demystifying Density Functional Theory

Опубликовано: 08 Апрель 2024
на канале: Centre for Quantum Technologies
722
31

Quantum Lunch Seminar Series

Speaker: Hue Jun Hao
Abstract: Density functional theory (DFT) has become a ubiquitous tool across various scientific disciplines, ranging from physics, chemistry, to biology. Yet, its inner workings often remain enigmatic, leading to its perception as a mere black box for calculations. This talk aims to unravel the fundamentals of DFT, shedding light on its underlying concepts, operational principles, and its versatile applications. By elucidating the intricacies of DFT, we seek to demystify this powerful theoretical framework and explore its potential for advancing cutting-edge research.


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