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Towards an understanding of strongly correlated electronic systems using Quantum Chemistry methods

Ali Alavi

Director, Max Planck Institute for Solid State Research

Professor, University of Cambridge

Abstract

The electronic structure of strongly correlated electronic matter is both of great fascination as well as scientic relevance. Unfortunately becasue of the sheer exponential complexity of quantum mechanics of many-electrons systems, there is no general solution to the problem, and specific algorithms needs to be devised which can exploit a particular aspect of the physics of such systems. Systems with geometrically frustrated and anitferromagentically coupled electrons pose particular challenges due to tiny spin gaps. The speaker will outline a novel formulation of spin-adapted quantum Monte Carlo which can handle such systems, and show how this formulation enables not only highly accurate energies, but even more importantly, insight into the electronic structure of frustrated quantum anti-ferromagnets.

Biography

Ali Alavi is Max Planck Director at the Institute for Solid State Research in Stuttgart, Germany. He is also Professor of Theoretical Chemistry at Cambridge University, a position that he holds only part-time since 2014. He studied Natural Science at Cambridge, followed by a Ph.D. in 1990 in theoretical chemistry from Cambridge, working on classical molecular dynamics of molecules adsorbed on surfaces. He subsequently did postdoc work at the FOM institute for Atomic and Molecular Physics in Amsterdam, before returning to Cambridge as a Junior Fellow in 1993. He was appointed to a Lectureship at Queen's University Belfast in 1995, in the School of Maths and Physics. He returned to Cambridge in 2000 to a University Lectureship in the Chemistry department. His interests are in method development, and he has been working in quantum chemistry since about 2003. He invented the FCIQMC technique in 2009, as a combination quantum Monte Carlo and quantum chemistry. His work generally tries to combine basic ideas from different subfields of quantum chemistry and physics, and he often goes back to the very earliest works in seeking new ideas.

时间: 2021年11月26日（星期五）16:00—17:00

地点：物理学院思源多功能厅（西301）

主持人：陈基 ji.chen@pku.edu.cn

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jxfjxf官网登录学术论坛创办于2020年9月，邀请国内外高校和研究机构高层次科技创新领军人才就物理学及相关领域的基础前沿探索、关键技术突破和热点问题等做学术演讲，旨在推进高质量学术交流，促进学科高水平发展。