Cover Image

Efficient parallel algorithms for free-energy calculation of millions of water molecules in the fluid phases

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Coronas, Luis Enrique, Vilanova, Oriol, Franzese, Giancarlo
Format:	Preprint
Published:	2025
Subjects:	Statistical Mechanics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Many-body contributions to polymorphism and polyhexaticity in a water monolayer
by: Vilanova, Oriol, et al.
Published: (2026)

Phase behavior of metastable water from large-scale simulations of a quantitative accurate model: The liquid-liquid critical point
by: Coronas, Luis Enrique, et al.
Published: (2024)

Unveiling the entropic role of hydration water in SOD1 partitioning within FUS condensate
by: Coronas, Luis Enrique, et al.
Published: (2025)

Agnostic calculation of atomic free energies with the descriptor density of states
by: Swinburne, Thomas D, et al.
Published: (2025)

Relaxation dynamics and the free energy near the phase boundary of the 3D kinetic Ising model
by: Guo, Ranran, et al.
Published: (2025)

Bayesian umbrella quadrature accelerates free-energy calculations across diverse molecular systems and processes
by: Kempkes, Eline K., et al.
Published: (2026)

Logarithmic corrections in the free energy of monomer-dimer model on plane lattices with free boundaries
by: Kong, Yong
Published: (2006)

A Machine Learning Tool to Analyse Spectroscopic Changes in High-Dimensional Data
by: Martinez-Serra, Alberto, et al.
Published: (2025)

Improving noisy free-energy measurements by adding more noise
by: Whitelam, Stephen
Published: (2025)

Dual thermodynamic ensembles, relative entropies, and excess free energy
by: Crooks, Gavin E.
Published: (2026)

Metastability in the diluted parallel Ising model
by: Bagnoli, Franco, et al.
Published: (2025)

Simplified energy landscape of the $ϕ^4$ model and the phase transition
by: Baroni, Fabrizio
Published: (2019)

Measurement-induced phase transition in periodically driven free-fermionic systems
by: Chatterjee, Pallabi, et al.
Published: (2024)

Landau free energy and the absence of spontaneous magnetization of the one-dimensional Ising model
by: Zheng, Z. F., et al.
Published: (2026)

Mahler measures, elliptic curves and $L$-functions for the free energy of the Ising model
by: Viswanathan, Gandhimohan M.
Published: (2024)

Efficient calculation of reactor noise via Ito-Langevin Process for correlated fluctuations
by: Gabrieli, Guy, et al.
Published: (2024)

Maximizing free energy gain
by: Kolchinsky, Artemy, et al.
Published: (2017)

Limiting free energy per particle for Ising Model by approximating its functional integral
by: Wei, Rong Qiang
Published: (2022)

Quantifying nonuniversal corner free-energy contributions in weakly-anisotropic two-dimensional critical systems
by: Kischel, Florian, et al.
Published: (2024)

Derivation of the free energy, entropy and specific heat for planar Ising models: Application to Archimedean lattices and their duals
by: Pierre, Laurent, et al.
Published: (2025)

A subpolynomial-time algorithm for the free energy of one-dimensional quantum systems in the thermodynamic limit
by: Fawzi, Hamza, et al.
Published: (2022)

Phases and phase transition in Grover's algorithm with systematic noise
by: Dowarah, Sasanka, et al.
Published: (2024)

Unlocking the potential of information flow: Maximizing free-energy transduction in a model of an autonomous rotary molecular motor
by: Grelier, Mathis, et al.
Published: (2023)

Measurement-induced phase transition in free bosons
by: Yokomizo, Kazuki, et al.
Published: (2024)

A variational formulation of the free energy of mixed quantum-classical systems: coupling classical and electronic density functional theories
by: Jeanmairet, Guillaume, et al.
Published: (2024)

The Crooks relationship in single molecule pulling simulations of coupled harmonic oscillators
by: Jiménez-Paz, Julián David, et al.
Published: (2025)

Comparison of the microcanonical population annealing algorithm with the Wang-Landau algorithm
by: Mozolenko, Vyacheslav, et al.
Published: (2024)

Certified algorithms for quantum Hamiltonian learning via energy-entropy inequalities
by: Artymowicz, Adam, et al.
Published: (2024)

Efficient circular Dyson Brownian motion algorithm
by: Buijsman, Wouter
Published: (2023)

Exotic collective dynamics in molten Carbon
by: Bryk, Taras, et al.
Published: (2025)

Tensor network calculation of boundary and corner magnetization
by: Krcmar, Roman, et al.
Published: (2025)

Global thermodynamics for isothermal fluids under gravity
by: Nakagawa, Naoko, et al.
Published: (2024)

The free propagator of strongly anisotropic systems with free surfaces
by: Shpot, M. A.
Published: (2025)

A unified framework for divergences, free energies, and Fokker-Planck equations
by: Lucchi, Anna L. F., et al.
Published: (2025)

Variational time reversal for free energy estimation in nonequilibrium steady states
by: Rosa-Raíces, Jorge L., et al.
Published: (2024)

A thermodynamic framework for the thermal conductivity of dense fluids
by: Hoyuelos, Miguel
Published: (2025)

Entropy of the cell fluid model with Curie-Weiss interaction
by: Romanik, R. V., et al.
Published: (2025)

Thermodynamic response functions in a cell fluid model
by: Dobush, O. A., et al.
Published: (2024)

Thermodynamic Geometry of two-dimensional square-well fluids
by: Jaramillo-Gutiérrez, Jaime, et al.
Published: (2026)

Stochastic thermodynamics of Brownian motion in a flowing fluid
by: Wu, Jun, et al.
Published: (2024)