David E. Manolopoulos

Publication Activity (10 Years)

Years Active: 2014-2022
Publications (10 Years): 1

Top Topics

Machine Learning

Programming Tool

Protein Folding

Molecular Dynamics Simulations

Top Venues

Comput. Phys. Commun.

Publications

Filippo Bigi, Kevin Huguenin-Dumittan, Michele Ceriotti, David E. Manolopoulos
A smooth basis for atomistic machine learning. CoRR (2022)
Michele Ceriotti, Joshua More, David E. Manolopoulos
i-PI: A Python interface for ab initio path integral molecular dynamics simulations. Comput. Phys. Commun. 185 (3) (2014)