:: Library Catalog

Copertina

Salvato in:

Dettagli Bibliografici
Autori principali:	Chiavazzo, Eliodoro, Coifman, Ronald R., Covino, Roberto, Gear, C. William, Georgiou, Anastasia S., Hummer, Gerhard, Kevrekidis, Ioannis G.
Natura:	Preprint
Pubblicazione:	2016
Soggetti:	Chemical Physics Computational Physics
Accesso online:	https://arxiv.org/abs/1701.01513
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Extrapolating molecular dynamics simulations to zero time step and across thermodynamic space
di: Coshic, Kush, et al.
Pubblicazione: (2026)

Free energy, rates, and mechanism of transmembrane dimerization in lipid bilayers from dynamically unbiased molecular dynamics simulations
di: Jackel, Emil, et al.
Pubblicazione: (2024)

Simulation-based inference of single-molecule experiments
di: Dingeldein, Lars, et al.
Pubblicazione: (2024)

Follow the MEP: Scalable Neural Representations for Minimum-Energy Path Discovery in Molecular Systems
di: Petersen, Magnus, et al.
Pubblicazione: (2025)

Reduced models in chemical kinetics via nonlinear data-mining
di: Chiavazzo, Eliodoro, et al.
Pubblicazione: (2013)

Optimal Rejection-Free Path Sampling
di: Lazzeri, Gianmarco, et al.
Pubblicazione: (2025)

Adaptive tensor train metadynamics for high-dimensional free energy exploration
di: Strand, Nils E., et al.
Pubblicazione: (2026)

Quantitative and Predictive Folding Models from Limited Single-Molecule Data Using Simulation-Based Inference
di: Dingeldein, Lars, et al.
Pubblicazione: (2025)

Adaptive simplification of complex multiscale systems
di: Chiavazzo, Eliodoro, et al.
Pubblicazione: (2010)

Understanding Reaction Mechanisms from Start to Finish
di: Breebaart, Rik S., et al.
Pubblicazione: (2025)

Interpreting effective energy barriers to membrane permeation in terms of a heterogeneous energy landscape
di: Schwindt, Nathanael S., et al.
Pubblicazione: (2024)

Deriving effective electrode-ion interactions from free-energy profiles at electrochemical interfaces
di: Roncoroni, Fabrice, et al.
Pubblicazione: (2025)

ProtSCAPE: Mapping the landscape of protein conformations in molecular dynamics
di: Viswanath, Siddharth, et al.
Pubblicazione: (2024)

A Machine-Learned Symbolic Committor for a Chemical Reaction: Retinal Isomerization
di: Töpfer, Kai, et al.
Pubblicazione: (2026)

Tutorial: AI-assisted exploration and active design of polymers with high intrinsic thermal conductivity
di: Huang, Xiang, et al.
Pubblicazione: (2024)

Mapping Electronic Decoherence Pathways in Molecules
di: Gustin, Ignacio, et al.
Pubblicazione: (2023)

An Analysis of the Mapping Approach to Surface Hopping
di: Vavřín, Jan
Pubblicazione: (2025)

Learning Markovian Dynamics with Spectral Maps
di: Rydzewski, Jakub, et al.
Pubblicazione: (2023)

Global properties of the energy landscape: a testing and training arena for machine learned potentials
di: Cărare, Vlad, et al.
Pubblicazione: (2025)

Parity and time-reversal symmetry violation in diatomic molecules: LaO, LaS and LuO
di: Chamorro, Yuly, et al.
Pubblicazione: (2024)

The dawn of alchemical free-energy methods in biomolecular simulations
di: Macuglia, Daniele, et al.
Pubblicazione: (2025)

Static vs dynamic rough energy landscapes: Where is diffusion faster?
di: Makarov, Dmitrii E., et al.
Pubblicazione: (2025)

A Note on Spectral Map
di: Gökdemir, Tuğçe, et al.
Pubblicazione: (2024)

Spectral Maps for Learning Reduced Representations of Molecular Systems
di: Gökdemir, Tuğçe, et al.
Pubblicazione: (2023)

Spectral Map: Embedding Slow Kinetics in Collective Variables
di: Rydzewski, Jakub
Pubblicazione: (2024)

Electron Correlation by Exchange Mapping in Electronic Structure Calculations
di: Whitten, Jerry L.
Pubblicazione: (2025)

Stopping mass-selected alkaline-earth metal monofluoride beams of high energy via formation of unusually stable anions
di: Gaul, Konstantin, et al.
Pubblicazione: (2024)

Computing solvation free energies of small molecules with experimental accuracy
di: Moore, J. Harry, et al.
Pubblicazione: (2024)

Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
di: Angelico, Sara, et al.
Pubblicazione: (2024)

Generating candidates in global optimization algorithms using complementary energy landscapes
di: Slavensky, Andreas Møller, et al.
Pubblicazione: (2024)

Mapping partial wave dynamics in scattering resonances by rotational de-excitation collisions
di: de Jongh, Tim, et al.
Pubblicazione: (2021)

Selecting High-Dimensional Representations of Physical Systems by Reweighted Diffusion Maps
di: Rydzewski, Jakub
Pubblicazione: (2024)

A Size-Consistent Multi-State Mapping Approach to Surface Hopping
di: Lawrence, Joseph E., et al.
Pubblicazione: (2024)

The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics
di: Cook, Lauren E., et al.
Pubblicazione: (2025)

MolCluster: Integrating Graph Neural Network with Community Detection for Coarse-Grained Mapping
di: Zhong, Zhixuan, et al.
Pubblicazione: (2025)

Nonadiabatic force matching for alchemical free-energy estimation
di: Rosa-Raíces, Jorge L., et al.
Pubblicazione: (2025)

Localized intrinsic bond orbitals decode correlated charge migration dynamics
di: Wahyutama, Imam S., et al.
Pubblicazione: (2026)

Mapping the Optical Landscape of a Squaraine Molecule in the Visible and Ultraviolet Energy Range
di: Taghizade, Narges, et al.
Pubblicazione: (2025)

Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories
di: Iyer, Gopal R., et al.
Pubblicazione: (2024)

Quantized Acoustic Phonons Map the Dynamics of a Single Virus
di: Zhang, Yaqing, et al.
Pubblicazione: (2024)