The Sign Problem of Fermions: Computational Challenges and Emerging Approaches

Europe/Rome
Aula Renzo Leonardi (ECT*)

Aula Renzo Leonardi

ECT*

Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
Giovanni Garberoglio, Hongwei Xiong, Michele Casula, Simone Taioli, Tommaso Morresi
Description

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The Fermion Sign Problem (FSP) poses a significant challenge in computational quantum many-body physics, hindering the application of Quantum Monte Carlo (QMC) methods to Fermionic systems. This issue is due to the antisymmetric nature of Fermionic wavefunctions, which results in an exponential decay of the signal-to-noise ratio as system size and inverse temperature increase, leading to numerical instabilities in large-scale simulations. Despite extensive research over the years, a universal solution to this problem remains elusive, positioning it as a critical barrier for achieving accurate first-principles simulations in Fermi liquids, quantum chemistry, nuclear matter and lattice QCD. However, recent innovative strategies have shown promise in reducing the impact of the FSP within QMC simulations, as evidenced by comparisons with benchmark calculations for liquid 3He and warm dense matter simulations relevant to modeling novel inertial fusion technologies. This workshop aims to address these advancements and will focus on discussing recent breakthroughs in QMC methodologies, theoretical treatments of the sign problem, and effective mitigation strategies. Key topics will also encompass algorithmic innovations, mathematical frameworks, and practical applications in fields such as nuclear physics, condensed matter physics, quantum chemistry and warm dense matter, promoting collaboration and knowledge sharing among participants.


Supporting project and institution

 

Participants
    • 1
      Registration Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
    • 2
      Welcome ECT* Director and organizers Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
    • 3
      Wick’s Route to Fermionic and Quantum Spin Simulations Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Riccardo Rossi
    • 10:30 AM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 4
      The Challenge of Working with Divergent Series Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Boris Svistunov
    • 5
      Cluster algorithms, a strategy to lower the scaling of the variance Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Roland Assaraf
    • 12:45 PM
      LUNCH Villa Tambosi

      Villa Tambosi

    • 6
      The notorious past of the sign problem Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: David Ceperley
    • 7
      Imaginary-Time Path-Integral Perspective on Warm Dense Matter: From Theory to Experiment Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Maximilian Boehme
    • 4:00 PM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 8
      Accelerated free energy estimation and reweighting estimators for density response in ab initio path integral Monte Carlo Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Pontus Svensson
    • 9
      The nature of the sign problem in the FCIQMC method: some numerical results based on the Hubbard model Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Ali Alavi
    • 10
      On the accuracy of diffusion Monte Carlo-based estimates of interaction energies Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Andrea Zen
    • 10:30 AM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 11
      Fermion Sign Problem from the Perspective of Lee-Yang Phase Transition Theory Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Xinzheng Li
    • 12
      New Methods for Overcoming the Fermion Sign Problem Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Yunuo Xiong
    • 12:30 PM
      LUNCH Villa Tambosi

      Villa Tambosi

    • 13
      Complex phase diagram Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Qi-Jun Ye
    • 14
      One Basis to Rule Them All Bosons and Fermions from Unsymmetrized Hyperspherical Harmonics Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Mario Gattobigio
    • 3:45 PM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 15
      Physics-informed Neural Networks and quantum mechanical many-body problems: applications to quantum dot systems Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Morten Hjorth-Jensen
    • 16
      Sign problems and sign blessings in quantum simulations Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Alessandro Roggero
    • 17
      Advancing time-dependent density functional theory for applications at elevated pressure and temperature conditions Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Zhandos Moldabekov
    • 18
      A deep dive into ab initio path integral Monte Carlo simulations of warm dense matter using fictitious identical particles Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Tobias Dornheim
    • 10:45 AM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 19
      Lattice Regularized Diffusion Monte Carlo: an effective way to deal with the Fermionic sign problem Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)

      I will review the Lattice Regularized Diffusion Monte Carlo (LRDMC) algorithm and show how it can be effectively used to deal with the Fermionic sign problem. The LRDMC allows one to simulate an effective Hamiltonian that can be tailored to cross the nodal surface in a controlled way with an adjustable parameter. Extrapolating the energies as a function of this parameter seems to be a promising root for approaching the Fermionic ground state.

      Speaker: Michele Casula
    • 20
      Hydrodynamic Backflow for Easing the Fermion Sign in Finite-Temperature Electron Path Integral Simulations Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Ingvars Vitenburgs
    • 12:45 PM
      LUNCH Villa Tambosi

      Villa Tambosi

    • 21
      Guided tour in Trento’s city center TRENTO

      TRENTO

      Starting point Piazza Dante
    • 7:30 PM
      DINNER
    • 22
      One-particle spectral function of the warm dense electrons from Path-integral Monte Carlo simulations Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Paul Hamann
    • 23
      Learning the Fermion sign structure in path-integral Monte Carlo Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Jarvist Moore Frost
    • 10:30 AM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 24
      Approximating Many-Electron Wave Functions using Deep Neural Networks Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Matthew Foulkes
    • 12:00 PM
      LUNCH Villa Tambosi

      Villa Tambosi

    • 25
      Speeding up PIMD and PIMC Simulations of Indistinguishable Particles Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Barak Hirshberg
    • 26
      Fermionic trial wave functions for extended systems Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Markus Holzmann
    • 3:30 PM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 27
      Hamiltonian Monte Carlo enhanced by Exact Diagonalization Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Johann Ostmeyer
    • 28
      Aperitivo and free discussion Villa Tambosi

      Villa Tambosi

    • 29
      Interplay of Gauss Law and the Fermion Sign Problem in Quantum Link Models with Dynamical Matter Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Emilie Huffman
    • 10:30 AM
      COFFEE BREAK Villa Tambosi

      Villa Tambosi

    • 30
      New opportunities in quantum simulation with Rydberg atoms Aula Renzo Leonardi

      Aula Renzo Leonardi

      ECT*

      Strada delle Tabarelle 286, I-38123 Villazzano (Trento)
      Speaker: Lode Pollet
    • 12:00 PM
      LUNCH Villa Tambosi

      Villa Tambosi