The electronic structure, atomistic simulation, and experimental data work together for the parametrization of an efficient CG model. In recent years, data-driven machine learning techniques have ...

Condense phase molecular systems organize in wide range of distinct molecular configurations, including amorphous melt and glass as well as crystals often exhibiting polymorphism, that originate from ...

A persistent challenge in molecular modeling of thermoset polymers is capturing the effects of chemical composition and degree of crosslinking (DC) on dynamical and mechanical properties with high ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin has introduced CGSchNet, a machine-learned coarse-grained (CG) model that can ...

Researchers at The University of Osaka have developed a computer graphics (CG) model, NeuraLeaf, capable of representing a wide variety of plant species and their deformations using a single, unified ...

Our neural parametric model for leaves, NeuraLeaf, represents shapes of various leaf species and natural 3D deformation. Our model represents the leaves' flattened shape and their 3D deformation in ...