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Programmable Potentials: Approximate N-body potentials from coarse-level logic

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is tran...

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Detalles Bibliográficos
Autores principales: Thakur, Gunjan S., Mohr, Ryan, Mezić, Igor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5037383/
https://www.ncbi.nlm.nih.gov/pubmed/27671683
http://dx.doi.org/10.1038/srep33415