An Information-theoretic Collective Variable for Configurational Entropy
Fuente:
arXiv
Saved in:
| Main Authors: | Guo, Ashley Z., Chang, Kaelyn, Corrente, Nicholas J. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Stochastic transitions: Paths over higher energy barriers can dominate in the early stages
by: Fitzgerald, S. P., et al.
Published: (2022)
by: Fitzgerald, S. P., et al.
Published: (2022)
A Local Structural Basis to Resolve Amorphous Ices
by: Gallagher, Quinn M., et al.
Published: (2026)
by: Gallagher, Quinn M., et al.
Published: (2026)
Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals
by: Jeong, Ahhyun, et al.
Published: (2026)
by: Jeong, Ahhyun, et al.
Published: (2026)
Microscopic Phase-Field Modeling
by: Jin, Jaehyeok, et al.
Published: (2024)
by: Jin, Jaehyeok, et al.
Published: (2024)
Polydispersity-driven dynamical differences between two- and three-dimensional supercooled liquids
by: Pihlajamaa, Ilian, et al.
Published: (2025)
by: Pihlajamaa, Ilian, et al.
Published: (2025)
Evaluation of the AMOEBA force field for simulating metal halide perovskites in the solid state and in solution
by: Rathnayake, P. V. G. M., et al.
Published: (2024)
by: Rathnayake, P. V. G. M., et al.
Published: (2024)
Stochastic Density Functional Theory on Lane Formation in Electric-Field-Driven Ionic Mixtures: Flow-Kernel-Based Formulation
by: Frusawa, Hiroshi
Published: (2024)
by: Frusawa, Hiroshi
Published: (2024)
Electric-field-induced oscillations in ionic fluids: a unified formulation of modified Poisson-Nernst-Planck models and its relevance to correlation function analysis
by: Frusawa, Hiroshi
Published: (2022)
by: Frusawa, Hiroshi
Published: (2022)
NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties
by: Xu, Ke, et al.
Published: (2024)
by: Xu, Ke, et al.
Published: (2024)
Quantitatively Connecting Experimental Time-Temperature-Superposition-Breakdown of Polymers near the Glass Transition to Dynamic Heterogeneity via the Heterogeneous Rouse Model
by: Yue, Peijing, et al.
Published: (2024)
by: Yue, Peijing, et al.
Published: (2024)
Comparison of integral equation theories of the liquid state
by: Pihlajamaa, Ilian, et al.
Published: (2024)
by: Pihlajamaa, Ilian, et al.
Published: (2024)
Electrostatic Correlation Augmented Self-Consistent Field Theory and Its Application to Polyelectrolyte Brushes
by: Duan, Chao, et al.
Published: (2024)
by: Duan, Chao, et al.
Published: (2024)
Microscopic Theory of Density Scaling: Coarse-Graining in Space and Time
by: Jin, Jaehyeok, et al.
Published: (2024)
by: Jin, Jaehyeok, et al.
Published: (2024)
Bridging Machine Learning and Glassy Dynamics Theory for Predictive Polymer Modeling
by: Phan, Anh D., et al.
Published: (2025)
by: Phan, Anh D., et al.
Published: (2025)
Polymer Network Diffusion in Charged Gels
by: Sano, Shoei, et al.
Published: (2024)
by: Sano, Shoei, et al.
Published: (2024)
Monte Carlo simulation of Hard-, Square-Well, and Square-Shoulder Disks in narrow channels
by: Fantoni, Riccardo
Published: (2023)
by: Fantoni, Riccardo
Published: (2023)
Ion Correlation-Driven Hysteretic Adhesion and Repulsion between Opposing Polyelectrolyte Brushes
by: Duan, Chao, et al.
Published: (2024)
by: Duan, Chao, et al.
Published: (2024)
Predicting Structural Relaxation in Supercooled Small Molecules via Molecular Dynamics Simulations and Microscopic Theory
by: Phan, Anh D., et al.
Published: (2025)
by: Phan, Anh D., et al.
Published: (2025)
Competing nucleation pathways in nanocrystal formation
by: Salazar, Carlos R., et al.
Published: (2024)
by: Salazar, Carlos R., et al.
Published: (2024)
Partitioning Law of Polymer Chains into Flexible Polymer Networks
by: Takarai, Haruki, et al.
Published: (2025)
by: Takarai, Haruki, et al.
Published: (2025)
Theory and Modeling of Transport for Simple Fluids in Nanoporous Materials: From Microscopic to Coarse-Grained Descriptions
by: Schlaich, Alexander, et al.
Published: (2024)
by: Schlaich, Alexander, et al.
Published: (2024)
Potential of mean force and underscreening of polarizable colloids in concentrated electrolytes
by: Krucker-Velasquez, Emily, et al.
Published: (2024)
by: Krucker-Velasquez, Emily, et al.
Published: (2024)
Collective Variables Based on Multipole Expansion of Ewald Summation for Crystallization
by: Lei, YaoKun, et al.
Published: (2025)
by: Lei, YaoKun, et al.
Published: (2025)
Reducing Data Requirements for Sequence-Property Prediction in Copolymer Compatibilizers via Deep Neural Network Tuning
by: Islam, Md Mushfiqul, et al.
Published: (2025)
by: Islam, Md Mushfiqul, et al.
Published: (2025)
Dielectrocapillarity for exquisite control of fluids
by: Bui, Anna T., et al.
Published: (2025)
by: Bui, Anna T., et al.
Published: (2025)
Origins of suppressed self-diffusion of nanoscale constituents of a complex liquid
by: Tanner, Christian P. N., et al.
Published: (2024)
by: Tanner, Christian P. N., et al.
Published: (2024)
The roles of bulk and surface thermodynamics in the selective adsorption of a confined azeotropic mixture
by: Zhou, Katie L. Y., et al.
Published: (2026)
by: Zhou, Katie L. Y., et al.
Published: (2026)
Dynamical Facilitation Governs the Equilibration Dynamics of Glasses
by: Chacko, Rahul N., et al.
Published: (2023)
by: Chacko, Rahul N., et al.
Published: (2023)
Structure and Dynamic Evolution of Interfaces between Polymer Solutions and Gels and Polymer Interdiffusion: A Molecular Dynamics Study
by: Vishnu, Jude Ann, et al.
Published: (2024)
by: Vishnu, Jude Ann, et al.
Published: (2024)
Fluids at an electrostatically active surface: Optimum in interfacial friction and electrohydrodynamic drag
by: Herrero, Cecilia, et al.
Published: (2026)
by: Herrero, Cecilia, et al.
Published: (2026)
On The Effect Of Size On The Kinetics Of Reactions In Solutions
by: Dedola, Manuel, et al.
Published: (2024)
by: Dedola, Manuel, et al.
Published: (2024)
Micelle Forming Linear-Dendritic Block Copolymers: A Theoretical Comparison between Random Hyperbranched and Precise Dendrimer Polymer Architectures
by: Giannakou, Marios, et al.
Published: (2025)
by: Giannakou, Marios, et al.
Published: (2025)
Breakdown of Magic Numbers in Spherical Confinement
by: Wang, Junwei, et al.
Published: (2025)
by: Wang, Junwei, et al.
Published: (2025)
Early-Stage Bifurcation of Crystallization in a Sphere
by: Mbah, Chrameh Fru, et al.
Published: (2023)
by: Mbah, Chrameh Fru, et al.
Published: (2023)
Density Functional Theory Predictions of Derivative Thermodynamic Properties of a Confined Fluid
by: Gor, Gennady Y., et al.
Published: (2026)
by: Gor, Gennady Y., et al.
Published: (2026)
Emergent single-species non-reciprocity from bistable chemical dynamics
by: Metson, Jakob, et al.
Published: (2026)
by: Metson, Jakob, et al.
Published: (2026)
Theory for enzymatic degradation of semi-crystalline polymer particles
by: Schindler, Michael, et al.
Published: (2026)
by: Schindler, Michael, et al.
Published: (2026)
Wang-Landau study of lattice gases on geodesic grids
by: Costa, Gabriele, et al.
Published: (2026)
by: Costa, Gabriele, et al.
Published: (2026)
Unified origin of negative energetic elasticity in a lattice polymer chain: soft self-repulsion and bending stiffness
by: Shirai, Nobu C.
Published: (2026)
by: Shirai, Nobu C.
Published: (2026)
The effects of ionic valency and size asymmetry on counterion adsorption
by: Yaakov, Or Ben, et al.
Published: (2026)
by: Yaakov, Or Ben, et al.
Published: (2026)
Similar Items
-
Stochastic transitions: Paths over higher energy barriers can dominate in the early stages
by: Fitzgerald, S. P., et al.
Published: (2022) -
A Local Structural Basis to Resolve Amorphous Ices
by: Gallagher, Quinn M., et al.
Published: (2026) -
Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals
by: Jeong, Ahhyun, et al.
Published: (2026) -
Microscopic Phase-Field Modeling
by: Jin, Jaehyeok, et al.
Published: (2024) -
Polydispersity-driven dynamical differences between two- and three-dimensional supercooled liquids
by: Pihlajamaa, Ilian, et al.
Published: (2025)