Publications

Project Acronym: MULTIPOLS
Title: Multiscale Modelling of Polymeric Systems
Affiliation: national center for scientific research demokritos
Pi: Niki Vergadou
Research Field: chemical sciences and materials

Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls
by Ricci, Eleonora, Giannakopoulos, George, Karkaletsis, Vangelis, Theodorou, Doros N. and Vergadou, Niki
Reference:
Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls (Ricci, Eleonora, Giannakopoulos, George, Karkaletsis, Vangelis, Theodorou, Doros N. and Vergadou, Niki), In Proceedings of the 12th Hellenic Conference on Artificial Intelligence, Association for Computing Machinery, 2022.
Bibtex Entry:
@inproceedings{doi:10.1145-3549737.3549793,
 author = {Ricci, Eleonora and Giannakopoulos, George and Karkaletsis, Vangelis and Theodorou, Doros N. and Vergadou, Niki},
 title = {Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls},
 year = {2022},
 bibyear = {2022},
 isbn = {9781450395977},
 publisher = {Association for Computing Machinery},
 address = {New York, NY, USA},
 url = {https://doi.org/10.1145/3549737.3549793},
 doi = {10.1145/3549737.3549793},
 booktitle = {Proceedings of the 12th Hellenic Conference on Artificial Intelligence},
 articleno = {52},
 numpages = {6},
 location = {Corfu, Greece},
 series = {SETN '22},
}