Action-Derived Molecular Dynamics: from Algorithms to Applications by 바죠

Action-Derived Molecular Dynamics: from Algorithms to Applications

               

Where transition-pathway search is part of the pleasure.




action-derived_molecular_dynamics__from_algorithms_to_applications_1.pdf


Keywords :
action, transition pathway, nudged elastic band (NEB), string, dimer, activation-relaxation technique (ART), rare events, activation energy barrier, transition state, reaction coordinates, free energy, minimum-energy path, molecular dynamics, long-time simulations, fullerene formation, fullerene fusion, protein folding, dislocation dynamics, Onsagar-Machlup action, accelerated molecular dynamics, autocatalysis


cf. 작용유도 분자동역학 방법 (action-derived molecular dynamics) :
http://incredible.egloos.com/372174

cf. 분자동역학 (molecular dynamics) 입문 :
http://incredible.egloos.com/1679232
cf. 자유에너지 프로파일 계산 :
http://incredible.egloos.com/2342691
cf. string 방법 :
http://incredible.egloos.com/3141336
cf. Harmonic Fourier Beads 방법 :
http://incredible.egloos.com/3068649
cf. 전이경로를 찾아서 :
http://incredible.egloos.com/3127566

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