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Force field (chemistry)

Known as: Force field, Force field chemistry 
In the context of molecular modeling, a force field (a special case of energy functions or interatomic potentials; not to be confused with force… 
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Related topics

Related topics

49 relations
Assisted Model Building with Energy Refinement (AMBER)Biochemical and Organic Simulation SystemBond order potentialCHARMM

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2010
Highly Cited
2010
Development and Validation of ReaxFF Reactive Force Field for Hydrocarbon Chemistry Catalyzed by Nickel
To enable the study of hydrocarbon reactions catalyzed by nickel surfaces and particles using reactive molecular dynamics on… 
Highly Cited
2005
Highly Cited
2005
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field"Journal of Computational Chemistry(2004) 25(9) 1157–1174
The original article to which this Erratum refers was published in Journal of Computational Chemistry (2004) 25(9) 1157–1174 
Highly Cited
2003
Highly Cited
2003
Nanopore Structure and Sorption Properties of Cu-BTC Metal-Organic Framework
Grand canonical Monte Carlo simulations in conjunction with high-resolution low-pressure argon adsorption experiments were… 
Review
2002
Review
2002
Anharmonic molecular force fields
An anharmonic force field is defined as a higher‐order Taylor‐series expansion of the molecular potential energy surface (PES… 
Highly Cited
2001
Highly Cited
2001
Gas‐phase and liquid‐state properties of esters, nitriles, and nitro compounds with the OPLS‐AA force field
Nonbonded and torsional parameters for carboxylate esters, nitriles, and nitro compounds have been developed for the OPLS‐AA… 
Highly Cited
2001
Highly Cited
2001
The free energy landscape for β hairpin folding in explicit water
The folding free energy landscape of the C-terminal β hairpin of protein G has been explored in this study with explicit solvent… 
Highly Cited
1999
Highly Cited
1999
Quantum chemistry based force field for simulations of HMX
The molecular geometries and conformational energies of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and 1,3-dimethyl-1… 
Highly Cited
1998
Highly Cited
1998
Parametrization of aliphatic CHn united atoms of GROMOS96 force field
The derivation of the van der Waals parameters for the aliphatic CHn united atoms of the GROMOS96 force field is presented. The… 
Highly Cited
1997
Highly Cited
1997
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
The objective of this work is to obtain a water model for simulations of biological macromolecules in solution. A pragmatic… 
Highly Cited
1989
Highly Cited
1989
Real-time obstacle avoidance for fact mobile robots
A real-time obstacle avoidance approach for mobile robots has been developed and implemented. It permits the detection of unknown… 
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