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2020 – today
- 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)- 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 - [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) - 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)
2010 – 2019
- 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)
2000 – 2009
- 2005
- [j1]Doros N. Theodorou:
Hierarchical modeling of amorphous polymers. Comput. Phys. Commun. 169(1-3): 82-88 (2005)
Coauthor Index
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