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On machine learning force fields for metallic nanoparticles
Free accessBASE | 2019|Keywords: force fields -
On machine learning force fields for metallic nanoparticles
Free accessTaylor & Francis Verlag | 2019|Keywords: force fields -
SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range
Free accessTaylor & Francis Verlag | 2015|Keywords: force fields -
Improving the accuracy of Møller-Plesset perturbation theory with neural networks
Free accessAmerican Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Building machine learning force fields for nanoclusters
Free accessBASE | 2018|Keywords: Force Fields -
From dimers to the solid-state: Distributed intermolecular force-fields for pyridine
Free accessAmerican Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
The dipole moment of alcohols in the liquid phase and in solution
Free accessBASE | 2022|Keywords: Force fields -
Ab initio derived force fields for Zeolitic Imidazolate Frameworks: MOF-FF for ZIFs
Free accessChemRxiv | 2018|Keywords: force fields -
Preface: Special Topic: From Quantum Mechanics to Force Fields
Free accessAmerican Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Water adsorption in ideal and defective UiO-66 structures
Free accessBASE | 2022|Keywords: Force fields -
On machine learning force fields for metallic nanoparticles
Free accessDOAJ | 2019|Keywords: force fields -
Refinement of RNA Structures Using Amber Force Fields
Free accessDOAJ | 2021|Keywords: force fields -
Improved cutoff functions for short-range potentials and the Wolf summation
Free accessTaylor & Francis Verlag | 2022|Keywords: Force fields -
Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force-Fields
Free accessChemRxiv | 2021|Keywords: force-fields -
Molecular modeling of adsorption of 5-aminosalicylic acid in the halloysite nanotube
Free accessBASE | 2018|Keywords: Force fields -
Performing the Millikan experiment at the molecular scale: Determination of atomic Millikan-Thomson charges by computationally measuring atomic forces
Free accessAmerican Institute of Physics | 2017|Keywords: SPECIAL TOPIC: FROM QUANTUM MECHANICS TO FORCE FIELDS -
Chemical Potentials, Activity Coefficients and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields.
Free accessBASE | 2015|Keywords: polarizable force fields -
A database of force-field parameters, dynamics, and properties of antimicrobial compounds
Free accessBASE | 2015|Keywords: All-atom force fields -
Programming nanoparticle valence bonds with single-stranded DNA encoders
Free accessBASE | 2020|Keywords: FORCE-FIELDS
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