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Doros N. Theodorou
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Journal Articles
- 2023
- [j5]Aristotelis P. Sgouros
, Doros N. Theodorou
:
Addressing the Folding of Intermolecular Springs in Particle Simulations: Fixed Image Convention. Comput. 11(6): 106 (2023) - 2021
- [j4]Constantinos J. Revelas
, Aristotelis P. Sgouros
, Apostolos T. Lakkas
, Doros N. Theodorou
:
RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases. Comput. 9(5): 57 (2021) - 2020
- [j3]Georgios G. Vogiatzis
, Lambèrt C. A. van Breemen
, Doros N. Theodorou
, Markus Hütter
:
Free energy calculations by molecular simulations of deformed polymer glasses. Comput. Phys. Commun. 249: 107008 (2020) - 2019
- [j2]Stavros Chatzieleftheriou, Stefanos Anogiannakis
, Doros N. Theodorou
, Nikos D. Lagaros
:
SimNano: A Trust Region Strategy for Large-Scale Molecular Systems Energy Minimization Based on Exact Second-Order Derivative Information. J. Chem. Inf. Model. 59(1): 190-205 (2019) - 2005
- [j1]Doros N. Theodorou
:
Hierarchical modeling of amorphous polymers. Comput. Phys. Commun. 169(1-3): 82-88 (2005)
Conference and Workshop Papers
- 2022
- [c2]Dimitris Nasikas, Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou
, Niki Vergadou:
Investigation of Machine Learning-based Coarse-Grained Mapping Schemes for Organic Molecules. SETN 2022: 51:1-51:8 - [c1]Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou
, Niki Vergadou:
Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls. SETN 2022: 52:1-52:6
Informal and Other Publications
- 2022
- [i2]Dimitris Nasikas, Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou
, Niki Vergadou:
Investigation of Machine Learning-based Coarse-Grained Mapping Schemes for Organic Molecules. CoRR abs/2209.12946 (2022) - [i1]Eleonora Ricci, George Giannakopoulos, Vangelis Karkaletsis, Doros N. Theodorou
, Niki Vergadou:
Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls. CoRR abs/2209.12948 (2022)
Coauthor Index
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