Stepping up enhanced rate calculations with EATR-flooding
Fuente:
arXiv
Saved in:
| Main Authors: | Mazzaferro, Nicodemo, Ccoa, Willmor J Pena, Cossio, Pilar, Hocky, Glen M. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Good rates from bad coordinates: the exponential average time-dependent rate approach
by: Mazzaferro, Nicodemo, et al.
Published: (2024)
by: Mazzaferro, Nicodemo, et al.
Published: (2024)
PACSim: A Flexible Simulation Framework for Polymer-Attenuated Coulombic Self-Assembly
by: Höllmer, Philipp, et al.
Published: (2026)
by: Höllmer, Philipp, et al.
Published: (2026)
Approximate calculation of multidimensional first passage times
by: Lutsko, James F.
Published: (2025)
by: Lutsko, James F.
Published: (2025)
Autocatalysis due to combinatorial enhancement
by: Hirano, Nanako, et al.
Published: (2025)
by: Hirano, Nanako, et al.
Published: (2025)
Committor guided estimates of molecular transition rates
by: Mitchell, Andrew R., et al.
Published: (2024)
by: Mitchell, Andrew R., et al.
Published: (2024)
Bayesian umbrella quadrature accelerates free-energy calculations across diverse molecular systems and processes
by: Kempkes, Eline K., et al.
Published: (2026)
by: Kempkes, Eline K., et al.
Published: (2026)
Evaluation of transition rates from nonequilibrium instantons
by: Heller, Eric R., et al.
Published: (2024)
by: Heller, Eric R., et al.
Published: (2024)
Third and fourth density and acoustic virial coefficients of neon from first-principles calculations
by: Hellmann, Robert, et al.
Published: (2026)
by: Hellmann, Robert, et al.
Published: (2026)
Cavity-induced bifurcation in classical rate theory
by: Kansanen, Kalle S. U., et al.
Published: (2022)
by: Kansanen, Kalle S. U., et al.
Published: (2022)
Path-integral calculation of the third dielectric virial coefficient of helium based on ab initio three-body polarizability and dipole surfaces
by: Garberoglio, Giovanni, et al.
Published: (2024)
by: Garberoglio, Giovanni, et al.
Published: (2024)
Critical temperatures of two- and three-dimensional Ferromagnetic Ising models- A hierarchy
by: Vismaya, M V, et al.
Published: (2024)
by: Vismaya, M V, et al.
Published: (2024)
Electric Field Induced Associations in the Double Layer of Salt-in-Ionic-Liquid Electrolytes
by: Markiewitz, Daniel M., et al.
Published: (2024)
by: Markiewitz, Daniel M., et al.
Published: (2024)
Timescales for stochastic barrier crossing: inferring the potential from nonequilibrium data
by: Archer, A. J., et al.
Published: (2025)
by: Archer, A. J., et al.
Published: (2025)
Exact fluctuation relation for open systems beyond the Zwanzig FEP equation
by: Rahbar, Mohammad, et al.
Published: (2025)
by: Rahbar, Mohammad, et al.
Published: (2025)
Thermodynamic potentials from a probabilistic view on the system-environment interaction energy
by: Rahbar, Mohammad, et al.
Published: (2025)
by: Rahbar, Mohammad, et al.
Published: (2025)
A probabilistic approach to system-environment coupling
by: Rahbar, Mohammad, et al.
Published: (2025)
by: Rahbar, Mohammad, et al.
Published: (2025)
Maximum entropy distributions of wavefunctions at thermal equilibrium
by: Willson, Jacob T., et al.
Published: (2026)
by: Willson, Jacob T., et al.
Published: (2026)
Ab initio machine learning simulation of calcium carbonate from aqueous solutions to the solid state
by: Piaggi, Pablo M., et al.
Published: (2024)
by: Piaggi, Pablo M., et al.
Published: (2024)
Adsorption of Guanidinium Cations to the Air-Water Interface
by: Bernal, Franky, et al.
Published: (2024)
by: Bernal, Franky, et al.
Published: (2024)
Temporal reversibility of reactive systems out of equilibrium: Molecular dynamics simulation
by: Politano, O., et al.
Published: (2024)
by: Politano, O., et al.
Published: (2024)
Accurate potential energy curve for helium dimer retrieved from viscosity coefficient data at very low temperatures
by: Costa, Éderson D'M., et al.
Published: (2016)
by: Costa, Éderson D'M., et al.
Published: (2016)
Fundamental measure theory for predicting many-body correlation functions
by: Pihlajamaa, Ilian, et al.
Published: (2025)
by: Pihlajamaa, Ilian, et al.
Published: (2025)
Finite-size effects of the excess entropy computed from integrating the radial distribution function
by: Raju, Darshan, et al.
Published: (2025)
by: Raju, Darshan, et al.
Published: (2025)
Thermodynamics and transport in molten chloride salts and their mixtures
by: Cockrell, Cillian, et al.
Published: (2024)
by: Cockrell, Cillian, et al.
Published: (2024)
Nonequilibrium statistics of barrier crossings with competing pathways
by: Ahmad, Gulzar, et al.
Published: (2025)
by: Ahmad, Gulzar, et al.
Published: (2025)
Statistical mechanics in continuous space with tensor network methods
by: Park, Gunhee, et al.
Published: (2026)
by: Park, Gunhee, et al.
Published: (2026)
Nudged Elastic Membranes for Constructing Reduced Two-Dimensional Potential Energy Surfaces
by: Manoj, Uday Sankar, et al.
Published: (2026)
by: Manoj, Uday Sankar, et al.
Published: (2026)
IEPDYN: Integral-equation formalism of population dynamics
by: Kasahara, Kento, et al.
Published: (2026)
by: Kasahara, Kento, et al.
Published: (2026)
Markov State Models for Tracking Reaction Dynamics on Catalytic Nanoparticles
by: McCandler, Caitlin A., et al.
Published: (2026)
by: McCandler, Caitlin A., et al.
Published: (2026)
Emergence of Open Chemical Reaction Network Thermodynamics within Closed Systems
by: Remlein, Benedikt, et al.
Published: (2026)
by: Remlein, Benedikt, et al.
Published: (2026)
Free energy differences and coexistence of clathrate structures II and H via lattice-switch Monte Carlo
by: Moro, Olivia S., et al.
Published: (2026)
by: Moro, Olivia S., et al.
Published: (2026)
Field-driven Ion Pairing Dynamics in Concentrated Electrolytes
by: Moon, Seokjin, et al.
Published: (2026)
by: Moon, Seokjin, et al.
Published: (2026)
Structure-resolved free energy estimation of the 38-atom Lennard Jones cluster via population annealing
by: Kowaguchi, Akie, et al.
Published: (2026)
by: Kowaguchi, Akie, et al.
Published: (2026)
Rotational Memory Function of SPC/E water
by: Asthagiri, Dilipkumar N., et al.
Published: (2026)
by: Asthagiri, Dilipkumar N., et al.
Published: (2026)
Density diversity in training data governs thermodynamic transferability of machine learning interatomic potentials
by: Kim, Minwoo, et al.
Published: (2026)
by: Kim, Minwoo, et al.
Published: (2026)
A statistical theory of structure in many-particle systems with local interactions
by: Çamkıran, John, et al.
Published: (2026)
by: Çamkıran, John, et al.
Published: (2026)
Data-Efficient Multidimensional Free Energy Estimation via Physics-Informed Score Learning
by: Nagel, Daniel, et al.
Published: (2026)
by: Nagel, Daniel, et al.
Published: (2026)
The Entropies
by: Tsekov, Roumen
Published: (2026)
by: Tsekov, Roumen
Published: (2026)
Path Integral Methods in Atomistic Modelling: An Introduction
by: Ceriotti, Michele, et al.
Published: (2026)
by: Ceriotti, Michele, et al.
Published: (2026)
The influence of multi-dimensionality and off-diagonal non-Markovian friction coupling on coarse-grained dynamics
by: Kiefer, Henrik, et al.
Published: (2025)
by: Kiefer, Henrik, et al.
Published: (2025)
Similar Items
-
Good rates from bad coordinates: the exponential average time-dependent rate approach
by: Mazzaferro, Nicodemo, et al.
Published: (2024) -
PACSim: A Flexible Simulation Framework for Polymer-Attenuated Coulombic Self-Assembly
by: Höllmer, Philipp, et al.
Published: (2026) -
Approximate calculation of multidimensional first passage times
by: Lutsko, James F.
Published: (2025) -
Autocatalysis due to combinatorial enhancement
by: Hirano, Nanako, et al.
Published: (2025) -
Committor guided estimates of molecular transition rates
by: Mitchell, Andrew R., et al.
Published: (2024)