Wisconsin Quantum Institute

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Events During the Week of October 15th through October 22nd, 2023

Monday, October 16th, 2023

Bridging the Quantum-Classical Divide in Molecular Dynamics: The Koopmon Method
Time: 2:00 pm - 3:00 pm
Place: Rm. 8335, Chemistry Bldg.
Speaker: Dr. Paul Bergold , University of Surrey
Abstract: Although many-body quantum simulations have greatly benefited from high-performance computing facilities, large molecular systems continue to pose formidable challenges. Mixed quantum-classical models, such as Born—Oppenheimer molecular dynamics or Ehrenfest dynamics, have been proposed to overcome the computational costs of fully quantum approaches. However, current mixed quantum-classical models typically suffer from long-standing consistency issues. In this talk, we present a fully Hamiltonian theory of quantum-classical dynamics based on a geometric approach and Koopman wave functions. The resulting model appears to be the first to ensure a series of consistency properties, beyond the positivity of quantum and classical densities. We also exploit Lagrangian trajectories to formulate a finite-dimensional closure scheme for numerical implementations, the "Koopmon method". Numerical experiments demonstrate that the Koopmon method is able to capture effects beyond Ehrenfest dynamics in both the classical and the quantum sectors.
Host: Prof. Micheline Soley, Chemistry Dept.
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Tuesday, October 17th, 2023

No events scheduled

Wednesday, October 18th, 2023

No events scheduled

Thursday, October 19th, 2023

No events scheduled

Friday, October 20th, 2023

Quantum Materials Seminar
Time: 2:00 pm - 3:00 pm
Place: Rm. 5290, Chamberlin Hall
Speaker: Yuan Ping (Associate Prof.) and Dmitry Zverevich (Graduate Research Assistant, Levchenko Group), MSE and Physics, UW-Madison
Abstract: Dr. Yuan Ping will talk about "First-principles many-body theory for excited-state and quantum dynamics in solids", and Dmitry Zverevich will be presenting on "Thermal transfer enhancement by hydrodynamic plasmons in electron bilayers". This seminar was organized so that students, postdocs, and faculty working on various quantum materials could share their work and inspire new collaborative directions for research. Given the broad range of interests among faculty working on quantum materials, topics may vary from things like electrical transport studies of 2D to time-resolved THz spectroscopy measurements, to local measurements of the density of states for various quantum materials systems. Whatever the topic may be, we hope that participants will feel open to asking questions that facilitate cross-cutting ideas and be motivated to give talks on their own work as well.
Host: Dan Rhodes, MSE UW-Madison
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