Difference between revisions of "Samuel Tovey"
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Samuel Tovey
PhD student
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=== Master's Thesis === | === Master's Thesis === | ||
| − | During my masters thesis I developed | + | During my masters thesis I developed an interatomic potential for molten NaCl and LiF using a machine learning method |
known as Gaussian Process Regression (GPR). The models were developed using data from Density Functional Theory (DFT) | known as Gaussian Process Regression (GPR). The models were developed using data from Density Functional Theory (DFT) | ||
simulations. | simulations. | ||
Revision as of 14:48, 21 December 2021
PhD student
| Office: | 1.076 |
|---|---|
| Fax: | +49 711 685-63658 |
| Email: | stovey _at_ icp.uni-stuttgart.de |
| Address: | Samuel Tovey Institute for Computational Physics Universität Stuttgart Allmandring 3 70569 Stuttgart Germany |
I am a PhD student in Christian Holm's group, working on applications of machine learning in simulation science.
Publications
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Samuel Tovey, Anand Narayanan Krishnamoorthy, Ganesh Sivaraman, Jicheng Guo, Chris Benmore, Andreas Heuer, Christian Holm.
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning.
The Journal of Physical Chemistry C 124(47):25760-25768, 2020.
[PDF] (1.4 MB) [DOI]
Master's Thesis
During my masters thesis I developed an interatomic potential for molten NaCl and LiF using a machine learning method known as Gaussian Process Regression (GPR). The models were developed using data from Density Functional Theory (DFT) simulations.