Boltzmann Generators -- Sampling Equilibrium States of Many-Body Systems
with Deep Learning

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Boltzmann Generators -- Sampling Equilibrium States of Many-Body Systems with Deep Learning

4 December 2018

Frank Noé

Jonas Köhler

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Papers citing "Boltzmann Generators -- Sampling Equilibrium States of Many-Body Systems with Deep Learning"

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Title
Value Gradient Sampler: Sampling as Sequential Decision Making Sangwoong Yoon Himchan Hwang Hyeokju Jeong Dong Kyu Shin Che-Sang Park Sehee Kwon Frank C. Park 147 0 0 18 Feb 2025
Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations Henrik Schopmans Pascal Friederich AI4CE 99 2 0 02 Feb 2024
Score dynamics: scaling molecular dynamics with picoseconds timestep via conditional diffusion model Tim Hsu Babak Sadigh Vasily V. Bulatov Fei Zhou 69 14 0 02 Oct 2023
Machine Learning Coarse-Grained Potentials of Protein Thermodynamics Maciej Majewski Adriana Pérez Philipp Thölke Stefan Doerr N. Charron T. Giorgino B. Husic C. Clementi Frank Noé Gianni De Fabritiis AI4CE 73 78 0 14 Dec 2022
Ab-initio quantum chemistry with neural-network wavefunctions J. Hermann J. Spencer Kenny Choo Antonio Mezzacapo W. Foulkes David Pfau Giuseppe Carleo Frank Noé AI4CE 83 86 0 26 Aug 2022
Neural Simulated Annealing Alvaro H. C. Correia Daniel E. Worrall Roberto Bondesan 79 7 0 04 Mar 2022
Enhancing Computational Fluid Dynamics with Machine Learning Ricardo Vinuesa Steven L. Brunton AI4CE 188 385 0 05 Oct 2021
Inverse design of 3d molecular structures with conditional generative neural networks Niklas W. A. Gebauer M. Gastegger Stefaan S. P. Hessmann Klaus-Robert Muller Kristof T. Schütt AI4CE 261 180 0 10 Sep 2021
Understanding ML driven HPC: Applications and Infrastructure Geoffrey C. Fox S. Jha 60 13 0 05 Sep 2019
Generative Models for Automatic Chemical Design Daniel Schwalbe-Koda Rafael Gómez-Bombarelli MedIm AI4CE 87 81 0 02 Jul 2019