‎

Publications

Nonclassical Nucleation of Zinc Oxide from a Physically Motivated Machine-Learning Approach
J. Goniakowski, S. Menon, G. Laurens, and J. Lam
The Journal of Physical Chemistry C (126) 40, 2022

Efficient parametrization of the atomic cluster expansion
A. Bochkarev, Y. Lysogorskiy, S. Menon, M. Qamar, M. Mrovec, and R. Drautz
Physical Review Materials (6) 1, 2022

Automated free-energy calculation from atomistic simulations
S. Menon, Y. Lysogorskiy, J. Rogal, and R. Drautz
Physical Review Materials (10) 1, 2022

Nucleation and growth during solidification in metals and alloys
S. Menon
Doctoral thesis, Ruhr-University Bochum, 2022

Performant implementation of the atomic cluster expansion PACE and application to copper and silicon
Y. Lysogorskiy, C. van der Oord, A. Bochkarev, S. Menon, M. Rinaldi, T. Hammerschmidt, M. Mrovec, A. Thompson, Gabor Csanyi, C. Ortner, and R. Drautz
npj Computational Materials (7) 1, 2021

Role of pre-ordered liquid in the selection mechanism of crystal polymorphs during nucleation
S. Menon, G. Diaz Leines, R. Drautz, and J. Rogal
The Journal of Chemical Physics (153) 10, 2020

pyscal: A python module for structural analysis of atomic environments
S. Menon, G. Diaz Leines, and J. Rogal
Journal of Open Source Software (4) 43, 2019