Professor Michael Murillo to Speak at Invitation-Only Workshop on Density Functional Theory at CECAM in Switzerland

  • May 14, 2019
  • News

Professor Michael Murillo of the Computational Mathematics, Science and Engineering (CMSE) and Chemical Engineering and Material Science (CEMS) departments will be speaking at the invitation-only workshop at the Centre Européen de Calcul Atomique et Moléculaire (CECAM) in Switzerland. This workshop will revolve around the failures in Density Functional Theory (DFT) and what issues the scientific community needs to focus on.

Professor Murillo's talk will discuss the current computational shortcoming in DFT and what problems remain unsolved as a result of this restriction. In order to tackle this issue, Professor Murillo will propose a machine learning approach to show when cheaper computational algorithms are sufficient for scientific discovery. He will also explain how these cheap DFT models are built and recent uses they have had at solving new classes of problems.

The CECAM is a European institute promoting fundamental research on advanced computational methods and their application to the frontiers of science and technology.