Normalizing flows for atomic solids

Normalizing flows for atomic solids

16 November 2021

Peter Wirnsberger

George Papamakarios

Alexander Pritzel

Charles Blundell

Papers citing "Normalizing flows for atomic solids"

10 / 10 papers shown

Title
Energy-Based Coarse-Graining in Molecular Dynamics: A Flow-Based Framework Without Data Maximilian Stupp P. S. Koutsourelakis 45 0 0 29 Apr 2025
Accurate and thermodynamically consistent hydrogen equation of state for planetary modeling with flow matching Hao Xie Saburo Howard Guglielmo Mazzola 46 1 0 17 Jan 2025
Deep generative modelling of canonical ensemble with differentiable thermal properties Shuo-Hui Li Yao-Wen Zhang Ding Pan DRL SyDa 41 1 0 29 Apr 2024
Learned Mappings for Targeted Free Energy Perturbation between Peptide Conformations S. Y. Willow Lulu Kang David D. L. Minh 11 0 0 24 Jun 2023
Rigid Body Flows for Sampling Molecular Crystal Structures Jonas Köhler Michele Invernizzi P. D. Haan Frank Noé AI4CE 46 27 0 26 Jan 2023
Laser: Latent Set Representations for 3D Generative Modeling Pol Moreno Adam R. Kosiorek Heiko Strathmann Daniel Zoran Rosália G. Schneider Bjorn Winckler L. Markeeva T. Weber Danilo Jimenez Rezende BDL 3DV DRL 45 4 0 13 Jan 2023
Deep Variational Free Energy Approach to Dense Hydrogen H.-j. Xie Ziqun Li Han Wang Linfeng Zhang Lei Wang 52 9 0 13 Sep 2022
Flow Annealed Importance Sampling Bootstrap Laurence Illing Midgley Vincent Stimper G. Simm Bernhard Schölkopf José Miguel Hernández-Lobato 43 77 0 03 Aug 2022
Physics Guided Deep Learning for Generative Design of Crystal Materials with Symmetry Constraints Yong Zhao Edirisuriya M Dilanga Siriwardane Zhenyao Wu Nihang Fu Mohammed Al-Fahdi Ming Hu Jianjun Hu AI4CE 41 68 0 27 Mar 2022
Machine Learning of Thermodynamic Observables in the Presence of Mode Collapse K. Nicoli Christopher J. Anders L. Funcke T. Hartung K. Jansen Pan Kessel Shinichi Nakajima Paolo Stornati AI4CE 42 13 0 22 Nov 2021