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Lista de obras de Paolo Nicolini

A Low-Computational-Cost Strategy to Localize Points in the Slow Manifold Proximity for Isothermal Chemical Kinetics

A comparison of empirical potentials for sliding simulations of MoS 2

Attracting subspaces in a hyper-spherical representation of autonomous dynamical systems

Exploiting Configurational Freezing in Nonequilibrium Monte Carlo Simulations

artículo científico publicado en 2011

Features in chemical kinetics. I. Signatures of self-emerging dimensional reduction from a general format of the evolution law.

artículo científico publicado en 2013

Features in chemical kinetics. II. A self-emerging definition of slow manifolds

artículo científico publicado en 2013

Features in chemical kinetics. III. Attracting subspaces in a hyper-spherical representation of the reactive system

artículo científico publicado en 2015

Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulations

artículo científico publicado en 2010

Improving fast-switching free energy estimates by dynamical freezing

article

Modeling and simulation in tribology across scales: An overview

On the lubricity of transition metal dichalcogenides: an ab initio study

artículo científico publicado en 2017

Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.

artículo científico publicado en 2013

Structural Ordering of Molybdenum Disulfide studied via Reactive Molecular Dynamics Simulations

artículo científico publicado en 2018

The force matching approach to multiscale simulations: Merits, shortcomings, and future perspectives

Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: a steered molecular dynamics simulation route

artículo científico publicado en 2013

Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications

scientific article published on 31 October 2019

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