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Molecular dynamics simulations of nanoindentation – the importance of force field choice on the predicted elastic modulus of FCC aluminum
Taylor & Francis Verlag | 2020|Keywords: force fields -
Influence of force fields on the selective diffusion of para-xylene over ortho-xylene in 10-ring zeolites
Taylor & Francis Verlag | 2015|Keywords: force fields -
On machine learning force fields for metallic nanoparticles
Free accessBASE | 2019|Keywords: force fields -
Sensitivity of the aggregation behaviour of asphaltenes to molecular weight and structure using molecular dynamics
Taylor & Francis Verlag | 2014|Keywords: force fields -
Building machine learning force fields for nanoclusters
Free accessBASE | 2018|Keywords: Force Fields -
Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF
Taylor & Francis Verlag | 2017|Keywords: force fields -
Learning coarse-grained force fields for fibrogenesis modeling
Elsevier | 2023|Keywords: Force fields -
MonteGrappa: An iterative Monte Carlo program to optimize biomolecular potentials in simplified models
Elsevier | 2014|Keywords: Force fields -
A molecular dynamics study of water-soluble polymers: analysis of force fields from atomistic simulations
Taylor & Francis Verlag | 2019|Keywords: force fields -
Improved cutoff functions for short-range potentials and the Wolf summation
Free accessTaylor & Francis Verlag | 2022|Keywords: Force fields -
A polarisable force field for bio-compatible ionic liquids based on amino acids anions
Taylor & Francis Verlag | 2022|Keywords: Force fields -
Influence of force fields on the selective diffusion of para-xylene over ortho-xylene in 10-ring zeolites
Online Contents | 2015|Keywords: force fields -
Cation distribution in faujasite-type zeolites: A test of semi-empirical force fields for Na cations
Taylor & Francis Verlag | 2002|Keywords: Force Fields -
A modern workflow for force-field development – Bridging quantum mechanics and atomistic computational models
Elsevier | 2011|Keywords: Atomistic force fields -
Molecular simulation of polymers with a SAFT-γ Mie approach
Taylor & Francis Verlag | 2019|Keywords: force fields -
Anomalous lateral diffusion in lipid bilayers observed by molecular dynamics simulations with atomistic and coarse-grained force fields
Taylor & Francis Verlag | 2014|Keywords: coarse-grained force fields -
Molecular force fields with gradient-domain machine learning (GDML): Comparison and synergies with classical force fields
DataCite | 2020|Keywords: force fields -
Using DL_POLY to study the sensitivity of liquid structure to potential parameters
Taylor & Francis Verlag | 2006|Keywords: Force fields -
Instability is the norm! A physics-based theory to navigate among risks and opportunities
Taylor & Francis Verlag | 2022|Keywords: force fields
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