【直播】【国际化学理论中心(ICCT)】加利福尼亚大学尔湾分校Kieron Burke教授

发布于 2021-04-01 04:49 ,所属分类:知识学习综合资讯




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本次报告由中国科大微尺度物质科学国家研究中心 国际化学理论中心(ICCT主办,于2021年4月2日11:00开始,授权蔻享学术进行网络直播。


Learning to approximate density functionals

报告人:Kieron Burke
单   位:Departments of Chemistry and of Physics, UC Irvine
时   间:2021年4月2日 11:00-12:00




报告摘要


I will begin with a general overview of moderndensity functional theory and its applications, fromroom temperature superconductors to how well fish cansmell. I will explain what DFT is, why it's so useful,and its current limitations. This should be accessible toanyone who has a general knowledge of quantummechanics. In the second half, I will describe efforts touse modern techniques of machine learning, includingneural networks and differentiable programming, tocreate new density functional approximations that arenothing like those that people create. I will report onsome of the most recent work I've been involved with,namely finding approximations that work for strongcorrelations.




个人简介



Kieron Burke is a Chancellor's Professor of UC Irvine. He is also a fellow of theAmerican Physical Society, the British Royal Society for Chemistry, and theAmerican Association for the Advancement of Science, and a member of theInternational Academy of Quantum Molecular Sciences. He is known around theworld for his many educational and outreach activities. According to google scholar,his research papers are now cited more than 21,000 times each year. Prof. Burke’sresearch focusses on developing all aspects of density functional theory: formalism,extensions to new areas, new approximations, and simplifications. His work is heavilyused in materials science, chemistry, matter under extreme conditions (such asplanetary interiors or fusion reactors), magnetic materials, molecular electronics, andso on. He has given talks in theoretical chemistry, condensed matter physics, appliedmathematics, computer science, and even organic chemistry.




合肥微尺度物质科学国家研究中心 国际化学理论中心(ICCT专栏链接:

https://www.koushare.com/category/singledep/184



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