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pro vyhledávání: '"Perego, Claudio"'
Unlike molecular crystals, soft self-assembled fibres, micelles, vesicles, etc., exhibit a certain order in the arrangement of their constitutive monomers, but also high structural dynamicity and variability. Defects and disordered local domains that
Externí odkaz:
http://arxiv.org/abs/2112.08044
Publikováno v:
J. Chem. Phys. 149, 072305 (2018)
The numerical computation of chemical potential in dense, non-homogeneous fluids is a key problem in the study of confined fluids thermodynamics. To this day several methods have been proposed, however there is still need for a robust technique, capa
Externí odkaz:
http://arxiv.org/abs/1804.03477
Sampling complex potential energies is one of the most pressing challenges of contemporary computational science. Inspired by recent efforts that use quantum effects and discretized Feynman's path integrals to overcome large barriers we propose a rep
Externí odkaz:
http://arxiv.org/abs/1607.04846
Publikováno v:
Eur. Phys. J. Special Topics, Published online: 18 July 2016
The calculation of chemical potential has traditionally been a challenge in atomistic simulations. One of the most used approaches is Widom's insertion method in which the chemical potential is calculated by periodically attempting to insert an extra
Externí odkaz:
http://arxiv.org/abs/1604.07565
Publikováno v:
J. Chem. Phys. 142, 144113 (2015)
Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size effects,
Externí odkaz:
http://arxiv.org/abs/1501.07825
Autor:
Perego, Claudio, Potestio, Raffaello
Publikováno v:
In Biophysical Journal 23 July 2019 117(2):214-228
Autor:
Gardin, Andrea1 (AUTHOR), Perego, Claudio2 (AUTHOR), Doni, Giovanni2 (AUTHOR), Pavan, Giovanni M.1,2 (AUTHOR) giovanni.pavan@polito.it
Publikováno v:
Communications Chemistry. 7/14/2022, Vol. 5 Issue 1, p1-15. 15p.
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Akademický článek
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Publikováno v:
Journal of Chemical Physics; 9/21/2021, Vol. 155 Issue 11, p1-12, 12p