Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Samuel Tovey"'
Autor:
Samuel Tovey, Fabian Zills, Francisco Torres-Herrador, Christoph Lohrmann, Marco Brückner, Christian Holm
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-15 (2023)
Abstract Particle-Based (PB) simulations, including Molecular Dynamics (MD), provide access to system observables that are not easily available experimentally. However, in most cases, PB data needs to be processed after a simulation to extract these
Externí odkaz:
https://doaj.org/article/e8087663ecc94a3c8613b47c8c25c955
Publikováno v:
Machine Learning: Science and Technology, Vol 5, Iss 3, p 035054 (2024)
Reinforcement learning (RL) is a flexible and efficient method for programming micro-robots in complex environments. Here we investigate whether RL can provide insights into biological systems when trained to perform chemotaxis. Namely, whether we ca
Externí odkaz:
https://doaj.org/article/6a84ca100b9e4fefb4b0dbf963c9b5ca
Publikováno v:
Machine Learning: Science and Technology, Vol 4, Iss 3, p 035040 (2023)
A theory of neural networks (NNs) built upon collective variables would provide scientists with the tools to better understand the learning process at every stage. In this work, we introduce two such variables, the entropy and the trace of the empiri
Externí odkaz:
https://doaj.org/article/14247b194d134c65947bc1e874dd63e3
Autor:
Anand Narayanan Krishnamoorthy, Chris J. Benmore, Ganesh Sivaraman, Andreas Heuer, Jicheng Guo, Christian Holm, Samuel Tovey
Publikováno v:
The Journal of Physical Chemistry C. 124:25760-25768
Molten alkali chloride salts are a critical component in concentrated solar power and nuclear applications. Despite their ubiquity, the extreme chemical reactivity of molten alkali chlorides at high temperatures has presented a significant challenge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f62e194c13c46c9c35c54e9d97eeea15
https://doi.org/10.1021/acs.jpcc.0c08870
https://doi.org/10.1021/acs.jpcc.0c08870
Autor:
Christian Holm, Andreas Heuer, Chris Benmore, Jicheng Guo, ganesh sivaraman, Anand Narayanan Krishnamoorthy, Samuel Tovey
Molten alkali chloride salts are a critical component in concentrated solar power and nuclear applications. Despite their ubiquity, the extreme chemical reactivity of molten alkali chlorides at high temperatures has presented a significant challenge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df7102a70066e3aeb886e2dd9a5e261c
https://doi.org/10.26434/chemrxiv.12355160
https://doi.org/10.26434/chemrxiv.12355160
