26 July 2026 to 1 August 2026
University of Maryland, College Park
US/Eastern timezone

Low-Temperature Hybrid Monte Carlo for Perylene and Corannulene: Stabilizing Determinant and Force

28 Jul 2026, 17:10
20m
Thurgood Marshall (Adele H. Stamp Student Union)

Thurgood Marshall

Adele H. Stamp Student Union

3972 Campus Dr, College Park, MD 20742
Contributed talk Algorithms and artificial intelligence Algorithms and artificial intelligence

Speaker

Petar Sinilkov (IAS-4, Forschungszentrum Jülich)

Description

Our central advance is an algorithm that simultaneously stabilizes the determinant and force calculations that holds to machine precision for very large $\beta$ (in units of inverse hopping) while scaling equally well with standard determinant QMC simulations of these systems. Furthermore, our formalism retains the full time-displaced (2-point) Greens function, allowing us to construct any $n$-body correlator, including those that contain disconnected diagrams. We demonstrate our formalism by presenting large $\beta = 90$ (corresponding to (low) room-temperature) Hubbard-model simulations of the molecules perylene and corannulene at different doping levels, and calculating one-, two- (exciton) and three-body (trion) correlators.

Author

Petar Sinilkov (IAS-4, Forschungszentrum Jülich)

Co-authors

Prof. Thomas Luu (Forshungszentrum Jülich) Johann Ostmeyer (University Bonn) Finn Temmen (Forschungszentrum Jülich, IAS-4) Marcel Rodekamp (Universität Regensburg)

Presentation materials