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講者：張博凱教授
演講題目：Metal-Organic Frameworks: Synergy between Computational and Physical Experiments
演講時間：3/27（五）15:30~17:20
演講地點：普通教室 101
主持人：陳立仁教授
Metal-Organic Frameworks: Synergy between Computational and Physical Experiments
Simulations are a powerful set of tools for the modern scientist, especially with the rapid development of computers in the past decades and the accompanying increase in computing power. But what is modeling and simulation? How can we use these concepts to study real world engineering problems? This talk will endeavor to answer (or at least begin a conversation on) these questions starting with a small introduction on the technique called density functional theory (DFT), a type of “first principles” calculation. An demonstration of using this method to simulate a metal-organic framework (MOF) material show how experiments that are impossible in the physical laboratory can be investigated computationally. A further example of gas adsorption in the MOF illustrates how computational and physical experiments can work together to allow scientists and engineers to form a more complete picture of the system of interest.
關於本次演講資訊請參考附件檔案，謝謝。
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