Latent Spaces for Langevin Dynamics
Fuente:
arXiv
Saved in:
| Main Authors: | Bruce, Andy, Aghili, Alexander, Marinescu, Razvan, Sabo, Daniel |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics
by: Aghili, Alexander, et al.
Published: (2025)
by: Aghili, Alexander, et al.
Published: (2025)
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
by: Murdeshwar, Sanya, et al.
Published: (2026)
by: Murdeshwar, Sanya, et al.
Published: (2026)
Modelling Dynamic Limitations of Lithium Transport in Lithium-Sulfur Batteries
by: Cornish, Michael, et al.
Published: (2024)
by: Cornish, Michael, et al.
Published: (2024)
Generative Latent Space Dynamics of Electron Density
by: Chiang, Yuan, et al.
Published: (2025)
by: Chiang, Yuan, et al.
Published: (2025)
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
by: Aghili, Alexander, et al.
Published: (2025)
by: Aghili, Alexander, et al.
Published: (2025)
Entropy Production by Underdamped Langevin Dynamics
by: Lyu, Jinghao, et al.
Published: (2024)
by: Lyu, Jinghao, et al.
Published: (2024)
Modelling Carbon Coated Silicon Anodes for Lithium-Ion Batteries and the Influence of Contact Area on Rate Performance
by: Sugunan, D, et al.
Published: (2025)
by: Sugunan, D, et al.
Published: (2025)
Variance-reduced random batch Langevin dynamics
by: Xu, Zhenli, et al.
Published: (2024)
by: Xu, Zhenli, et al.
Published: (2024)
A million cycles in a day: enabling high-throughput computing of lithium-ion battery degradation with physics-based models
by: Li, Ruihe, et al.
Published: (2023)
by: Li, Ruihe, et al.
Published: (2023)
Navigating Chemical Space with Latent Flows
by: Wei, Guanghao, et al.
Published: (2024)
by: Wei, Guanghao, et al.
Published: (2024)
Modeling surface vibrations and their role in molecular adsorption: a generalized Langevin approach
by: Farahvash, Ardavan, et al.
Published: (2023)
by: Farahvash, Ardavan, et al.
Published: (2023)
Phantom LAM and LLI: Resistance and Hysteresis Bias in Voltage-Curve Degradation Mode Analysis
by: N, Mohammed Asheruddin, et al.
Published: (2025)
by: N, Mohammed Asheruddin, et al.
Published: (2025)
Nonadiabatic Dynamics of Molecules Interacting with Metal Surfaces: Extending the Hierarchical Equations of Motion and Langevin Dynamics Approach to Position-Dependent Metal-Molecule Couplings
by: Mäck, Martin, et al.
Published: (2024)
by: Mäck, Martin, et al.
Published: (2024)
Active Learning for Machine Learning Driven Molecular Dynamics
by: Bachelor, Kevin, et al.
Published: (2025)
by: Bachelor, Kevin, et al.
Published: (2025)
Chemical Space of Molecular Nanomotors: Optimizing Photochemical Properties for One- and Two-photon Applications
by: Mielke, Alexander, et al.
Published: (2025)
by: Mielke, Alexander, et al.
Published: (2025)
Semiclassical Dynamics in Wigner Phase Space II : nonadiabatic Hybrid Wigner Dynamics
by: Malpathak, Shreyas, et al.
Published: (2024)
by: Malpathak, Shreyas, et al.
Published: (2024)
Semiclassical Dynamics in Wigner Phase Space I : Adiabatic Hybrid Wigner Dynamics
by: Malpathak, Shreyas, et al.
Published: (2024)
by: Malpathak, Shreyas, et al.
Published: (2024)
Lithium-ion battery degradation: using degradation mode analysis to validate lifetime prediction modelling
by: Li, Ruihe, et al.
Published: (2023)
by: Li, Ruihe, et al.
Published: (2023)
Practical Phase-Space Electronic Hamiltonians for Ab Initio Dynamics
by: Tao, Zhen, et al.
Published: (2024)
by: Tao, Zhen, et al.
Published: (2024)
Internal Trajectories and Observation Effects in Langevin Splitting Schemes
by: Keller, Bettina G.
Published: (2026)
by: Keller, Bettina G.
Published: (2026)
On the Definition of Velocity in Discrete-Time, Stochastic Langevin Simulations
by: Grønbech-Jensen, Niels
Published: (2024)
by: Grønbech-Jensen, Niels
Published: (2024)
The Phase-Space Way To Electronic Structure Theory and Subsequently Chemical Dynamics
by: Bian, Xuezhi, et al.
Published: (2025)
by: Bian, Xuezhi, et al.
Published: (2025)
Linear Analysis of Stochastic Verlet-Type Integrators for Langevin Equations
by: Grønbech-Jensen, Niels
Published: (2025)
by: Grønbech-Jensen, Niels
Published: (2025)
DGLD: Domain-Gated Latent Diffusion for the Discovery of Novel Energetic Materials
by: Aperstein, Yehudit, et al.
Published: (2026)
by: Aperstein, Yehudit, et al.
Published: (2026)
Performance of Automatic Active Space Selection for Electronic Excitation Energies
by: Shirazi, Reza G., et al.
Published: (2025)
by: Shirazi, Reza G., et al.
Published: (2025)
Reduced Density Matrices and Phase-Space Distributions in Thermofield Dynamics
by: Błasiak, Bartosz, et al.
Published: (2025)
by: Błasiak, Bartosz, et al.
Published: (2025)
Latent space design of interatomic potentials
by: Atlas, Susan R.
Published: (2026)
by: Atlas, Susan R.
Published: (2026)
Unveiling Latent Knowledge in Chemistry Language Models through Sparse Autoencoders
by: Cohen, Jaron, et al.
Published: (2025)
by: Cohen, Jaron, et al.
Published: (2025)
Revealing the Atomistic Mechanism of Rare Events in Molecular Dynamics
by: Kresse, Jakob J., et al.
Published: (2025)
by: Kresse, Jakob J., et al.
Published: (2025)
Evaluation of reaction rate of thermogravimetric analysis data using periodic sinc function interpolation
by: Alireza Aghili, et al.
Published: (2024)
by: Alireza Aghili, et al.
Published: (2024)
Algebraic Diagrammatic Construction Theory of Charged Excitations With Consistent Treatment of Spin-Orbit Coupling and Dynamic Correlation
by: Majumder, Rajat, et al.
Published: (2024)
by: Majumder, Rajat, et al.
Published: (2024)
Metal Ions based Dynamic Nuclear Polarization: MI-DNP
by: Alvarez, Daniel Jardon-, et al.
Published: (2025)
by: Alvarez, Daniel Jardon-, et al.
Published: (2025)
Reverse Intersystem Crossing Dynamics in Vibronically Modulated Inverted Singlet-Triplet Gap System: A Wigner Phase Space Study
by: Karak, Pijush, et al.
Published: (2024)
by: Karak, Pijush, et al.
Published: (2024)
Simultaneous Learning of Static and Dynamic Charges
by: Stärk, Philipp, et al.
Published: (2026)
by: Stärk, Philipp, et al.
Published: (2026)
Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory
by: Jiang, Andy, et al.
Published: (2022)
by: Jiang, Andy, et al.
Published: (2022)
A Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties
by: Hoja, Johannes, et al.
Published: (2022)
by: Hoja, Johannes, et al.
Published: (2022)
Attosecond Control and Measurement of Chiral Photoionisation Dynamics
by: Han, Meng, et al.
Published: (2025)
by: Han, Meng, et al.
Published: (2025)
A Reverse Non-Equilibrium Molecular Dynamics (RNEMD) Algorithm for Coupled Mass and Heat Transport in Mixtures
by: Drisko, Cody R., et al.
Published: (2024)
by: Drisko, Cody R., et al.
Published: (2024)
Brownian-motion approach to statistical mechanics: Langevin equations, fluctuations, and timescales
by: Dattagupta, Sushanta, et al.
Published: (2025)
by: Dattagupta, Sushanta, et al.
Published: (2025)
Rotational Coherence Dominates Early-Time Dynamics and Produces Long-Time Revivals in the S2 State of Azulene
by: Zhan, Jie, et al.
Published: (2026)
by: Zhan, Jie, et al.
Published: (2026)
Similar Items
-
TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics
by: Aghili, Alexander, et al.
Published: (2025) -
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
by: Murdeshwar, Sanya, et al.
Published: (2026) -
Modelling Dynamic Limitations of Lithium Transport in Lithium-Sulfur Batteries
by: Cornish, Michael, et al.
Published: (2024) -
Generative Latent Space Dynamics of Electron Density
by: Chiang, Yuan, et al.
Published: (2025) -
A Standardized Benchmark for Machine-Learned Molecular Dynamics using Weighted Ensemble Sampling
by: Aghili, Alexander, et al.
Published: (2025)