BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Memento EPFL//
BEGIN:VEVENT
SUMMARY:Machine-learning of density functionals for applications in molecu
 les and materials
DTSTART:20180220T161500
DTSTAMP:20260407T020923Z
UID:48cbb01967d8ffbc46c9093db4cf10ef7cb699fe4af52d02f7f18646
CATEGORIES:Conferences - Seminars
DESCRIPTION:Prof. Kieron Burke\, University of California\, Irvine\n\nMARV
 EL Distinguished Lecture\n\nThis lecture is designed to be accessible to a
  wide variety of backgrounds.\n\nIn the first part\, I will briefly review
  density functional theory and why it is important to many branches of mod
 ern physical science.  I will also review machine learning and its recent
  applications to molecules and materials\n\nIn the second half\,  I will 
 show how\, in collaboration with computer scientists at TU Berlin\, we hav
 e used a specific type of machine-learning\, called kernel ridge regressio
 n\, to find more accurate and powerful approximate density functionals tha
 n any made by humans.  \n\nFor more background\, see here.\n\n\n\n\nBio: 
 Kieron Burke is a professor in both the chemistry and physics departments
  at UC Irvine.  His research focuses on developing a theory of quantum me
 chanics called density functional theory.\nDensity functional theory is a
  way of solving the equations of quantum mechanics for the electrons in a
 ny substance. Because DFT equations can be solved relatively quickly on 
 modern computers\, DFT has become a very popular tool in many branches o
 f science\, especially chemistry and materials science.  Last year\, at 
 least 30\,000 scientific papers used DFT. For example\, hydrogen sulphide
  was predicted by DFT calculations to have a high superconducting tempera
 ture under pressure\, and a year later\, it was tested and became the wor
 ld-record holder\, at 203K.\nProfessor Burke works on developing all aspe
 cts of DFT: formalism\, extensions to new areas\, new approximations\, an
 d simplifications. His work is heavily used in materials science\, chemis
 try\, matter under extreme conditions (such as planetary interiors or fus
 ion reactors)\, magnetic materials\, molecular electronics\, and so on. 
 \n\nKieron Burke is a Chancellor's Professor of UCI\, and a fellow of the
  American Physical Society.  He is known around the world for his many 
 educational and outreach activities.  Most recently\, he was honored to
  participate in the Baker symposium at Cornell in 2016\, he was named the
  2017 Bourke Lecturer by the British Royal Society of Chemistry\, and elec
 ted a member of the International Academy of Quantum Molecular Scientists
 .  According to google scholar\, his research papers are now cited more t
 han 12\,000 times each year.\n
LOCATION:MXF 1 https://plan.epfl.ch/?room==MXF%201
STATUS:CONFIRMED
END:VEVENT
END:VCALENDAR