Browsing NU Research Week - I by Subject "atomic force fields"

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Development and testing of new force fields for molecular dynamics simulations

Unknown author (Nazarbayev University, 2013)

The objective of this research is to develop and test new polarizable atomic force fields (FFs) for “in-vacuum” and “in-water” non-bonded interactions based on AMBER ff99SB-ILDN force fields, improved by inclusion of new ...