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Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method


Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme.


Hamiltonian Adaptive Importance Sampling



Density-functional-theory approach to the Hamiltonian adaptive resolution simulation method



Ligand Affinities within the Open-Boundary Molecular Mechanics/Coarse-Grained Framework (I): Alchemical Transformations within the Hamiltonian Adaptive Resolution Scheme.



The effects of rarefaction and thermal non-equilibrium on a blunt body and a bicone in hypersonic flow and their shape optimization for reducing both drag and heat transfer



Open-Boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations


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Hamiltonian Adaptive 해밀턴 적응형


Hamiltonian Adaptive 해밀턴 적응형
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