메뉴 건너뛰기




Volumn 133, Issue 23, 2010, Pages

Communication: Hybrid ensembles for improved force matching

Author keywords

[No Author keywords available]

Indexed keywords

BOLTZMANN PROBABILITY; CANONICAL ENSEMBLE; CONFIGURATION SPACE; CRITICAL REGION; EMPIRICAL PARAMETERS; EMPIRICAL POTENTIALS; FITTING PROCEDURE; FORCE MATCHING; PARAMETERIZING; POTENTIAL SURFACES; REFERENCE POTENTIALS; TRAINING DATA;

EID: 78650689053     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3519043     Document Type: Article
Times cited : (19)

References (26)
  • 8
    • 0001189010 scopus 로고    scopus 로고
    • 10.1021/jp980939v
    • H. Sun, J. Phys. Chem. B 102, 7338 (1998). 10.1021/jp980939v
    • (1998) J. Phys. Chem. B , vol.102 , pp. 7338
    • Sun, H.1
  • 9
    • 31444444180 scopus 로고    scopus 로고
    • Effective potentials for quasicrystals from ab-initio data
    • DOI 10.1080/14786430500333349, PII J130286837231421
    • P. Brommer and F. Gahler, Philos. Mag. 86, 753 (2006). 10.1080/14786430500333349 (Pubitemid 43149147)
    • (2006) Philosophical Magazine , vol.86 , Issue.6-8 , pp. 753-758
    • Brommer, P.1    Gahler, F.2
  • 10
    • 34547432144 scopus 로고    scopus 로고
    • Effective potentials from complex simulations: Apotential-matching algorithm and remarks on coarse-grained potentials
    • DOI 10.1088/0953-8984/19/33/335222, PII S0953898407455709
    • G. Toth, J. Phys.-Condens. Mat. 19, 335222 (2007). 10.1088/0953-8984/19/ 33/335222 (Pubitemid 47168273)
    • (2007) Journal of Physics Condensed Matter , vol.19 , Issue.33 , pp. 335222
    • Toth, G.1
  • 14
    • 17444368060 scopus 로고    scopus 로고
    • Effective force field for liquid hydrogen fluoride from ab initio molecular dynamics simulation using the force-matching method
    • DOI 10.1021/jp0456685
    • S. Izvekov and G. A. Voth, J. Phys. Chem. B 109, 6573 (2005). 10.1021/jp0456685 (Pubitemid 40538424)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.14 , pp. 6573-6586
    • Izvekov, S.1    Voth, G.A.2
  • 15
    • 0037113106 scopus 로고    scopus 로고
    • An ab initio parametrized interatomic force field for silica
    • DOI 10.1063/1.1513312
    • P. Tangney and S. Scandolo, J. Chem. Phys. 117, 8898 (2002). 10.1063/1.1513312 (Pubitemid 35457595)
    • (2002) Journal of Chemical Physics , vol.117 , Issue.19 , pp. 8898-8904
    • Tangney, P.1    Scandolo, S.2
  • 16
    • 28344457301 scopus 로고    scopus 로고
    • On fitting a gold embedded atom method potential using the force matching method
    • DOI 10.1063/1.2124667, 204719
    • G. Grochola, S. P. Russo, and I. K. Snook, J. Chem. Phys. 123, 204719 (2005). 10.1063/1.2124667 (Pubitemid 41721307)
    • (2005) Journal of Chemical Physics , vol.123 , Issue.20 , pp. 1-7
    • Grochola, G.1    Russo, S.P.2    Snook, I.K.3
  • 23
    • 78650681269 scopus 로고    scopus 로고
    • See supplementary material at E-JCPSA6-133-003045 for force field parameters and additional RDF data.
    • See supplementary material at http://dx.doi.org/10.1063/1.3519043 E-JCPSA6-133-003045 for force field parameters and additional RDF data.
  • 24
    • 0001106901 scopus 로고
    • 10.1016/0009-2614(93)85438-T
    • C. J. Tsai and K. D. Jordan, Chem. Phys. Lett. 213, 181 (1993). 10.1016/0009-2614(93)85438-T
    • (1993) Chem. Phys. Lett. , vol.213 , pp. 181
    • Tsai, C.J.1    Jordan, K.D.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.