Doros N. Theodorou

According to our database, Doros N. Theodorou authored at least 7 papers between 2005 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

Addressing the Folding of Intermolecular Springs in Particle Simulations: Fixed Image Convention.

Aristotelis P. Sgouros, Doros N. Theodorou

Comput., June, 2023

2022

Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls.

Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou, Niki Vergadou

Proceedings of the SETN 2022: 12th Hellenic Conference on Artificial Intelligence, Corfu, Greece, September 7, 2022

Investigation of Machine Learning-based Coarse-Grained Mapping Schemes for Organic Molecules.

Dimitris Nasikas, Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou, Niki Vergadou

Proceedings of the SETN 2022: 12th Hellenic Conference on Artificial Intelligence, Corfu, Greece, September 7, 2022

2021

RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases.

Constantinos J. Revelas, Aristotelis P. Sgouros, Apostolos T. Lakkas, Doros N. Theodorou

Comput., 2021

2020

Free energy calculations by molecular simulations of deformed polymer glasses.

Georgios G. Vogiatzis, Lambèrt C. A. van Breemen, Doros N. Theodorou, Markus Hütter

Comput. Phys. Commun., 2020

2019

SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information.

Stavros Chatzieleftheriou, Stefanos Anogiannakis, Doros N. Theodorou, Nikos D. Lagaros

J. Chem. Inf. Model., 2019

2005

Hierarchical modeling of amorphous polymers.

Doros N. Theodorou

Comput. Phys. Commun., 2005