https://www.alexbuettner.com/tags/inversion/ Recent content in Inversion on Alex B Buettner Hugo -- gohugo.io en-us © 2020 Alex B Buettner Thu, 12 Jul 2018 00:00:00 +0000 https://www.alexbuettner.com/project/kalixo/ Thu, 12 Jul 2018 00:00:00 +0000 https://www.alexbuettner.com/project/kalixo/ The Kalixo molecular modeling framework (KMMF) is a tool for producing a system of interaction potentials for molecular dynamics (MD) using a generalized lattice inversion approach. When faced with the task of computing mechanical properties and understanding the dynamical state of a physical system, MD simulations have become the primary means for any reasonably large-scale investigations. Unfortunately, many materials are not yet characterized by potential energy functions that accurately represent the interactions within the system and reproduce the desired material properties.