Assessing generative modeling approaches for free energy estimates in condensed matter
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Schebek, Maximilian, He, Jiajun, Hoffmann, Emil, Du, Yuanqi, Noé, Frank, Rogal, Jutta |
|---|---|
| Format: | Preprint |
| Publié: |
2025
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
Scalable Boltzmann Generators for equilibrium sampling of large-scale materials
par: Schebek, Maximilian, et autres
Publié: (2025)
par: Schebek, Maximilian, et autres
Publié: (2025)
Boltzmann Generators for Condensed Matter via Riemannian Flow Matching
par: Hoffmann, Emil, et autres
Publié: (2026)
par: Hoffmann, Emil, et autres
Publié: (2026)
Efficient mapping of phase diagrams with conditional Boltzmann Generators
par: Schebek, Maximilian, et autres
Publié: (2024)
par: Schebek, Maximilian, et autres
Publié: (2024)
Estimating Solvation Free Energies with Boltzmann Generators
par: Schebek, Maximilian, et autres
Publié: (2025)
par: Schebek, Maximilian, et autres
Publié: (2025)
Thermodynamic Entropy as Information -- A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter
par: Fisher, Dallin, et autres
Publié: (2025)
par: Fisher, Dallin, et autres
Publié: (2025)
Agnostic calculation of atomic free energies with the descriptor density of states
par: Swinburne, Thomas D, et autres
Publié: (2025)
par: Swinburne, Thomas D, et autres
Publié: (2025)
Zentropy theory for accurate prediction of free energy, volume, and thermal expansion without fitting parameters
par: Liu, Zi-Kui, et autres
Publié: (2023)
par: Liu, Zi-Kui, et autres
Publié: (2023)
Effective Hamiltonian approach to kinetic Ising models: Application to an infinitely long-range Husimi-Temperley model
par: Tokar, V. I.
Publié: (2023)
par: Tokar, V. I.
Publié: (2023)
Free energy and metastable states in the square-lattice $J_1$-$J_2$ Ising model
par: Abalmasov, V. A.
Publié: (2023)
par: Abalmasov, V. A.
Publié: (2023)
Non-Thermal Aging of Supercooled Liquids in Optical Cavities
par: Hasyim, Muhammad R., et autres
Publié: (2026)
par: Hasyim, Muhammad R., et autres
Publié: (2026)
Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs
par: Zhou, Xiaoye, et autres
Publié: (2024)
par: Zhou, Xiaoye, et autres
Publié: (2024)
The model of photoswitching in lead-halide perovskite microcrystals
par: Podshivaylov, Eduard A., et autres
Publié: (2024)
par: Podshivaylov, Eduard A., et autres
Publié: (2024)
Interpretability of linear regression models of glassy dynamics
par: Sharma, Anand, et autres
Publié: (2025)
par: Sharma, Anand, et autres
Publié: (2025)
Fiber bundle model of thermally activated creep failure
par: Hiemer, Stefan, et autres
Publié: (2025)
par: Hiemer, Stefan, et autres
Publié: (2025)
Thermally quenched metastable phase in the Ising model with competing interactions
par: Oike, Hiroshi, et autres
Publié: (2025)
par: Oike, Hiroshi, et autres
Publié: (2025)
Prediction of defect properties in concentrated solid solutions using a Langmuir-like model
par: Jeffries, Jacob, et autres
Publié: (2024)
par: Jeffries, Jacob, et autres
Publié: (2024)
Ferromagnetic ordering in mazelike stripe liquid of a dipolar six-state clock model
par: Simmons, Quentin, et autres
Publié: (2024)
par: Simmons, Quentin, et autres
Publié: (2024)
Competing structures in a minimal double-well potential model of condensed matter
par: Cartwright, Julyan H. E., et autres
Publié: (2024)
par: Cartwright, Julyan H. E., et autres
Publié: (2024)
Cahn-Hilliard model with Schlögl Reactions: interplay of equilibrium and non-equilibrium phase transitions. II. Memory effects
par: Mchedlov-Petrosyan, P. O., et autres
Publié: (2024)
par: Mchedlov-Petrosyan, P. O., et autres
Publié: (2024)
Classical Heisenberg and XY models on zigzag ladder lattices with nearest-neighbor bilinear-biquadratic exchange: Exact solution for the ground-state problem
par: Dublenych, Yuriy
Publié: (2025)
par: Dublenych, Yuriy
Publié: (2025)
Metastability and Ostwald Step Rule in the Crystallisation of Diamond and Graphite from Molten Carbon
par: Donadio, Davide, et autres
Publié: (2025)
par: Donadio, Davide, et autres
Publié: (2025)
Load-Dependent Power-Law Exponent in Creep Rupture of Heterogeneous Materials
par: Braux, Chloé, et autres
Publié: (2025)
par: Braux, Chloé, et autres
Publié: (2025)
Model of luminescence and delayed luminescence correlated blinking in single CsPbBr$_3$ nanocrystals
par: Podshivaylov, Eduard A., et autres
Publié: (2025)
par: Podshivaylov, Eduard A., et autres
Publié: (2025)
Nonlinear dynamic elastic moduli from equilibrium stress fluctuations
par: Garbuzov, F. E., et autres
Publié: (2026)
par: Garbuzov, F. E., et autres
Publié: (2026)
Stacking-dependent magnetic ordering in bilayer ScI$_{2}$
par: Sarkar, Soumyajit, et autres
Publié: (2026)
par: Sarkar, Soumyajit, et autres
Publié: (2026)
Memory of topologically constrained disorder in Shakti artificial spin ice
par: Priyanka, Priyanka, et autres
Publié: (2025)
par: Priyanka, Priyanka, et autres
Publié: (2025)
Cooperative Ion Conduction Enabled by Site Percolation in Random Substitutional Crystals
par: Ishikawa, Rikuya, et autres
Publié: (2025)
par: Ishikawa, Rikuya, et autres
Publié: (2025)
Spontaneous Topological Locking and Symmetry Restoration of Meron Lattices in Synthetic Antiferromagnets
par: Doğan, Gülşen, et autres
Publié: (2026)
par: Doğan, Gülşen, et autres
Publié: (2026)
Connected Network Model for the Mechanical Loss of Amorphous Materials
par: Blaber, Steven, et autres
Publié: (2024)
par: Blaber, Steven, et autres
Publié: (2024)
A Constraint-Modulated Rate Law Outperforming VFT and Its Modern Alternatives Across Canonical Glass-Forming Liquids
par: Gavant, Debra S., et autres
Publié: (2025)
par: Gavant, Debra S., et autres
Publié: (2025)
Global Oscillations in Depinning Models with Aging
par: Aponte, F. V. Pereyra, et autres
Publié: (2026)
par: Aponte, F. V. Pereyra, et autres
Publié: (2026)
AIM: A User-friendly GUI Workflow program for Isotherm Fitting, Mixture Prediction, Isosteric Heat of Adsorption Estimation, and Breakthrough Simulation
par: Hassan, Muhammad, et autres
Publié: (2025)
par: Hassan, Muhammad, et autres
Publié: (2025)
A mechanism for ice growth on the surface of a spherical water droplet
par: Li, Yang, et autres
Publié: (2025)
par: Li, Yang, et autres
Publié: (2025)
A minimal electrostatic theory for the Seebeck coefficient in liquids
par: Kobayashi, Wataru
Publié: (2026)
par: Kobayashi, Wataru
Publié: (2026)
Thermal response functions and second sound in single-layer hexagonal boron nitride
par: Schelling, Patrick K., et autres
Publié: (2025)
par: Schelling, Patrick K., et autres
Publié: (2025)
First-principles theory of ionic thermoelectricity
par: Lee, Byeoksong, et autres
Publié: (2025)
par: Lee, Byeoksong, et autres
Publié: (2025)
Diffusion in a $d$-dimensional rough potential
par: Jeffries, Jacob, et autres
Publié: (2025)
par: Jeffries, Jacob, et autres
Publié: (2025)
Stochastic cloaking: concealing a region from diffusive particles
par: Roberts, Connor, et autres
Publié: (2024)
par: Roberts, Connor, et autres
Publié: (2024)
From diamond to BC8 to simple cubic and back: kinetic pathways to post-diamond carbon phases from metadynamics
par: Martoňák, Roman, et autres
Publié: (2025)
par: Martoňák, Roman, et autres
Publié: (2025)
On the kinetics of homogeneous nucleation of incoherent precipitates in solid solutions
par: Veshchunov, M. S.
Publié: (2024)
par: Veshchunov, M. S.
Publié: (2024)
Documents similaires
-
Scalable Boltzmann Generators for equilibrium sampling of large-scale materials
par: Schebek, Maximilian, et autres
Publié: (2025) -
Boltzmann Generators for Condensed Matter via Riemannian Flow Matching
par: Hoffmann, Emil, et autres
Publié: (2026) -
Efficient mapping of phase diagrams with conditional Boltzmann Generators
par: Schebek, Maximilian, et autres
Publié: (2024) -
Estimating Solvation Free Energies with Boltzmann Generators
par: Schebek, Maximilian, et autres
Publié: (2025) -
Thermodynamic Entropy as Information -- A compression-based demonstration of the Shannon-Boltzmann equivalence in condensed matter
par: Fisher, Dallin, et autres
Publié: (2025)