Developing Machine-Learned Potentials for Coarse-Grained Molecular Simulations: Challenges and Pitfalls (bibtex)

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,
        call={pr011},
        acronym={MULTIPOLS},
        fulltitle={Multiscale Modelling of Polymeric Systems },
        pi={Niki Vergadou},
	affiliation={National Center for Scientific Research Demokritos},
        researchfield={Chemical Sciences and Materials },
	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},
	keywords = {Coarse-graining, Neural Network Potential, Hierarchical Modelling, Molecular Simulations, Machine Learning},
	location = {Corfu, Greece},
	series = {SETN '22}
}