Doros N. Theodorou

Orcid: 0000-0002-4763-9739

According to our database1, Doros N. Theodorou authored at least 8 papers between 2005 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

2006
2008
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2012
2014
2016
2018
2020
2022
2024
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Legend:

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Links

On csauthors.net:

Bibliography

2024
Molecular Simulation of Coarse-grained Systems using Machine Learning.
Proceedings of the 13th Hellenic Conference on Artificial Intelligence, 2024

2023
Addressing the Folding of Intermolecular Springs in Particle Simulations: Fixed Image Convention.
Comput., June, 2023

2022
Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls.
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.
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.
Comput., 2021

2020
Free energy calculations by molecular simulations of deformed polymer glasses.
Comput. Phys. Commun., 2020

2019
SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information.
J. Chem. Inf. Model., 2019

2005
Hierarchical modeling of amorphous polymers.
Comput. Phys. Commun., 2005


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