Albert Musaelian

  • Program Year: 3
  • Academic Institution: Harvard University
  • Field of Study: Applied Mathematics
  • Academic Advisor: Boris Kozinsky
  • Practicum(s): Practicum Not Yet Completed
  • Degree(s):
    B.S. Mathematics, University of Oklahoma, 2020


"Learning Local Equivariant Representations for Large-Scale Atomistic Dynamics." A. Musaelian and S. Batzner, A. Johansson, L. Sun, C.J. Owen, M. Kornbluth, B. Kozinsky. (2022). Pre-print:

"Fast Uncertainty Estimates in Deep Learning Interatomic Potentials"
A. Zhu, S. Batzner, A. Musaelian, B. Kozinksy. (2022). Pre-print:

"The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials"
I. Batatia and S. Batzner, D. Kovacs, A. Musaelian, G.N.C. Simm, R. Drautz, C. Ortner, B. Kozinsky, G. Csanyi. (2022). Pre-print:

"E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials." S. Batzner, A. Musaelian, L. Sun, M. Geiger, J.P. Mailoa, M. Kornbluth, N. Molinari, T. E. Smidt, B. Kozinsky. (2022). Nat Commun 13, 2453.

"Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics." J.S. Lim, J. Vandermause, M. van Spronsen, A. Musaelian, Y. Xie, L. Sun, C. O'Connor, T. Egle, N. Molinari, J. Florian, K. Duanmu, R. Madix, P. Sautet, C. Friend, B. Kozinsky. (2020). J. Am. Chem. Soc.

"Unsupervised landmark analysis for jump detection in molecular dynamics simulations." L. Kahle*, A. Musaelian*, N. Marzari, B. Kozinsky. (2019). Phys. Rev. Materials. Vol. 3, 055404.
* These two authors contributed equally to this work.


Hertz Foundation Fellowship Finalist (2020)

OU Honors Grand Prize Award for Most Outstanding Research Project (2019)
OU Honors Award for Distinguished Undergraduate Research (2018)
National Merit Scholar/OU National Scholar (2017-2020)