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Volumn 144, Issue 3, 2011, Pages 679-689

Portable Implementation of a Quantum Thermal Bath for Molecular Dynamics Simulations

Author keywords

Molecular dynamics; Thermostats

Indexed keywords


EID: 85027934421     PISSN: 00224715     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10955-011-0193-z     Document Type: Article
Times cited : (64)

References (10)
  • 1
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    • Molecular-dynamics simulation for polymers in the presence of a heat bath
    • Grest, G. S., Kremer, K.: Molecular-dynamics simulation for polymers in the presence of a heat bath. Phys. Rev. A 33, 3628-3631 (1986).
    • (1986) Phys. Rev. A , vol.33 , pp. 3628-3631
    • Grest, G.S.1    Kremer, K.2
  • 3
    • 0035826421 scopus 로고    scopus 로고
    • Simulation of material properties below the Debye temperature: a path-integral molecular dynamics case study of quartz
    • Müser, M. H.: Simulation of material properties below the Debye temperature: a path-integral molecular dynamics case study of quartz. J. Chem. Phys. 114, 6364 (2001).
    • (2001) J. Chem. Phys. , vol.114 , pp. 6364
    • Müser, M.H.1
  • 5
    • 59149089908 scopus 로고    scopus 로고
    • Langevin equation with colored noise for constant-temperature molecular dynamics simulations
    • 020601
    • Ceriotti, M., Bussi, G., Parrinello, M.: Langevin equation with colored noise for constant-temperature molecular dynamics simulations. Phys. Rev. Lett. 102, 020601 (2009).
    • (2009) Phys. Rev. Lett. , vol.102
    • Ceriotti, M.1    Bussi, G.2    Parrinello, M.3
  • 6
    • 0012420295 scopus 로고
    • Numerical method for colored-noise generation and its application to a bistable system
    • Billah, K. Y. R., Shinozuka, M.: Numerical method for colored-noise generation and its application to a bistable system. Phys. Rev. A 42, 7492 (1990).
    • (1990) Phys. Rev. A , vol.42 , pp. 7492
    • Billah, K.Y.R.1    Shinozuka, M.2
  • 7
    • 33244471884 scopus 로고    scopus 로고
    • Numerical simulation of generalized Langevin equation with arbitrary correlated noise
    • 067701
    • Lü, K., Bao, J. D.: Numerical simulation of generalized Langevin equation with arbitrary correlated noise. Phys. Rev. E 72, 067701 (2005).
    • (2005) Phys. Rev. E , vol.72
    • Lü, K.1    Bao, J.D.2
  • 10
    • 84940492598 scopus 로고
    • Interatomic potentials from first-principles calculations: the force-matching method
    • Ercolessi, F., Adams, J.: Interatomic potentials from first-principles calculations: the force-matching method. Europhys. Lett. 26, 583 (1994).
    • (1994) Europhys. Lett. , vol.26 , pp. 583
    • Ercolessi, F.1    Adams, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.