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Molecular Latent Space Simulators

Molecular Latent Space Simulators

1 July 2020
Hythem Sidky
Wei Chen
Andrew L. Ferguson
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Molecular Latent Space Simulators"

8 / 8 papers shown
Title
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition
  Path Sampling
Doob's Lagrangian: A Sample-Efficient Variational Approach to Transition Path Sampling
Yuanqi Du
Michael Plainer
Rob Brekelmans
Chenru Duan
Frank Noé
Carla P. Gomes
Alán Aspuru-Guzik
Kirill Neklyudov
126
16
0
10 Oct 2024
Micro-Macro Consistency in Multiscale Modeling: Score-Based Model
  Assisted Sampling of Fast/Slow Dynamical Systems
Micro-Macro Consistency in Multiscale Modeling: Score-Based Model Assisted Sampling of Fast/Slow Dynamical Systems
Ellis R. Crabtree
J. M. Bello-Rivas
Ioannis G. Kevrekidis
46
3
0
10 Dec 2023
Latent Representation and Simulation of Markov Processes via Time-Lagged
  Information Bottleneck
Latent Representation and Simulation of Markov Processes via Time-Lagged Information Bottleneck
Marco Federici
Patrick Forré
Ryota Tomioka
Bastiaan S. Veeling
53
6
0
13 Sep 2023
GANs and Closures: Micro-Macro Consistency in Multiscale Modeling
GANs and Closures: Micro-Macro Consistency in Multiscale Modeling
Ellis R. Crabtree
J. M. Bello-Rivas
Andrew L. Ferguson
Ioannis G. Kevrekidis
AI4CE
49
4
0
23 Aug 2022
Staying the course: Locating equilibria of dynamical systems on
  Riemannian manifolds defined by point-clouds
Staying the course: Locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
J. M. Bello-Rivas
Anastasia S. Georgiou
J. Guckenheimer
Ioannis G. Kevrekidis
34
3
0
21 Apr 2022
Simulate Time-integrated Coarse-grained Molecular Dynamics with
  Multi-Scale Graph Networks
Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-Scale Graph Networks
Xiang Fu
T. Xie
Nathan J. Rebello
B. Olsen
Tommi Jaakkola
AI4CE
75
15
0
21 Apr 2022
Path sampling of recurrent neural networks by incorporating known
  physics
Path sampling of recurrent neural networks by incorporating known physics
Sun-Ting Tsai
Eric C. Fields
Yijia Xu
En-Jui Kuo
P. Tiwary
AI4CEPINN
51
24
0
01 Mar 2022
Accelerated Simulations of Molecular Systems through Learning of their
  Effective Dynamics
Accelerated Simulations of Molecular Systems through Learning of their Effective Dynamics
Pantelis R. Vlachas
Julija Zavadlav
M. Praprotnik
Petros Koumoutsakos
AI4CE
56
3
0
17 Feb 2021
1