2 molecular-dynamics-simulation positions in Italy

Calculation of drag reduction in graphene through neural-network molecular dynamics simulations

drag reduction in graphene with a combination of electronic structure methods and large-scale atomistic molecular dynamics (MD) powered by machine learning and high-performance computing (HPC). The first

Call NANO AR 17-2024 MO PNRR Multiscale modeling of nanoparticles functionalized with DNA peptides to detect viral glycoproteins in human serum

reported to target different virus (e.g. West Nile Virus) immunogenic epitopes. The WNV epitopes-NP complexes will be addressed within a multiscale approach including all atoms molecular dynamics, ab initio