Samuel Tovey

I am a PhD student in Christian Holm's group, working on applications of machine learning in simulation science.

Publications

• 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. [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.