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|Fax:||+49 711 685-63658|
|Email:||stovey _at_ icp.uni-stuttgart.de|
Institute for Computational Physics
I am a PhD student in Christian Holm's group, working on applications of machine learning in simulation science.
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]
During my masters thesis I developed and 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.