Effective Fragment Potential Method

The Effective Fragment Potential (EFP) method is a computational approach designed to describe intermolecular interactions and environmental effects… (More)
Wikipedia

Topic mentions per year

Topic mentions per year

2001-2017
012320012017

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
The effective fragment potential (EFP) method is described and its capabilities illustrated using several applications. The… (More)
  • figure 1
  • table 1
  • figure 2
  • table 2
  • table 3
Is this relevant?
2017
2017
The effective fragment potential (EFP) method, is a discrete method for the treatment of solvent effects, originally formulated… (More)
  • table I
  • table II
  • table IV
  • table III
  • table VI
Is this relevant?
2017
2017
Simulated annealing methods have been used with the effective fragment potential to locate the lowest energy structures for the… (More)
  • table I
  • figure 1
  • table II
  • table III
  • table IV
Is this relevant?
2016
2016
The dispersion interaction energy may be expressed as a sum over R−n terms, with n ≥ 6. Most implementations of the dispersion… (More)
  • figure 1
  • table 2
  • figure 2
  • figure 3
Is this relevant?
2015
2015
A new hybrid MPI/OpenMP parallelization scheme is introduced for the Effective Fragment Potential (EFP) method implemented in the… (More)
Is this relevant?
2013
2013
A detailed description of the implementation of the effective fragment potential (EFP) method in the Q-CHEM electronic structure… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?
Review
2013
Review
2013
A new high performance parallel implementation of the general Effective Fragment Potential (EFP) method in a form of a portable… (More)
Is this relevant?
2009
2009
A force matching technique based on previous work by Voth and co-workers is developed and employed to coarse grain intermolecular… (More)
Is this relevant?
2007
2007
Evaluation of the electrostatic energy within the effective fragment potential (EFP) method is presented. The performance of two… (More)
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • figure 5
Is this relevant?