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MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

Main Author: CPC, Mendeley
Other Authors: Duff, Andrew Ian, Finnis, M.W., Maugis, Philippe, Thijsse, Barend J., Sluiter, Marcel H.F.
Format: Dataset
Terbitan: Mendeley , 2015
Subjects:
Physical Chemistry
Molecular Physics
Computational Physics
Online Access: https:/data.mendeley.com/datasets/kdkyzwgxdc
ctrlnum 0.17632-kdkyzwgxdc.1
fullrecord <?xml version="1.0"?> <dc><creator>CPC, Mendeley</creator><title>MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code </title><publisher>Mendeley</publisher><description>Abstract Ab initio modeling of materials has become routine in recent years, largely due to the success of density functional theory (DFT). However, for many processes in materials, realism is achieved only when millions of atoms are considered. Currently, such large scale simulations are beyond ab initio capabilities so that one has to resort to effective interatomic potentials that well represent ab initio data on smaller scales. Two of the more widely used types of interatomic potentials are embedd... Title of program: MEAMfit Catalogue Id: AEWY_v1_0 Nature of problem Fitting embedded atom method (EAM) and reference-free modified embedded atom method (RF-MEAM) potentials [2-3] to energies and forces produced by VASP [4-7]. Versions of this program held in the CPC repository in Mendeley Data AEWY_v1_0; MEAMfit; 10.1016/j.cpc.2015.05.016 AEWY_v1_1; MEAMfit; 10.1016/j.cpc.2016.02.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)</description><subject>Physical Chemistry</subject><subject>Molecular Physics</subject><subject>Computational Physics</subject><contributor>Duff, Andrew Ian</contributor><contributor>Finnis, M.W.</contributor><contributor>Maugis, Philippe</contributor><contributor>Thijsse, Barend J.</contributor><contributor>Sluiter, Marcel H.F.</contributor><type>Other:Dataset</type><identifier>10.17632/kdkyzwgxdc.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/kdkyzwgxdc</relation><date>2015-01-01T12:00:00Z</date><recordID>0.17632-kdkyzwgxdc.1</recordID></dc>
format Other:Dataset
Other
author CPC, Mendeley
author2 Duff, Andrew Ian
Finnis, M.W.
Maugis, Philippe
Thijsse, Barend J.
Sluiter, Marcel H.F.
title MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code
publisher Mendeley
publishDate 2015
topic Physical Chemistry
Molecular Physics
Computational Physics
url https:/data.mendeley.com/datasets/kdkyzwgxdc
contents Abstract Ab initio modeling of materials has become routine in recent years, largely due to the success of density functional theory (DFT). However, for many processes in materials, realism is achieved only when millions of atoms are considered. Currently, such large scale simulations are beyond ab initio capabilities so that one has to resort to effective interatomic potentials that well represent ab initio data on smaller scales. Two of the more widely used types of interatomic potentials are embedd... Title of program: MEAMfit Catalogue Id: AEWY_v1_0 Nature of problem Fitting embedded atom method (EAM) and reference-free modified embedded atom method (RF-MEAM) potentials [2-3] to energies and forces produced by VASP [4-7]. Versions of this program held in the CPC repository in Mendeley Data AEWY_v1_0; MEAMfit; 10.1016/j.cpc.2015.05.016 AEWY_v1_1; MEAMfit; 10.1016/j.cpc.2016.02.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
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institution Universitas Islam Indragiri
affiliation onesearch.perpusnas.go.id
institution_id 804
institution_type library:university
library
library Teknologi Pangan UNISI
library_id 2816
collection Artikel mulono
repository_id 7969
city INDRAGIRI HILIR
province RIAU
shared_to_ipusnas_str 1
repoId IOS7969
first_indexed 2020-04-08T08:17:25Z
last_indexed 2020-04-08T08:17:25Z
recordtype dc
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