It has become a group tradition to prepare a greetings card for the winter holidays, evoking a COSMO publication (or pre-print!) from the previous year. A colorful way to look back at what we have been up to over the years.
2024

F. Bigi, M. Langer, M. Ceriotti, “The dark side of the forces: assessing non-conservative force models for atomistic machine learning”, arxiv:2412.11569 (2024)
2023

A. Mazitov, M. A. Springer, N. Lopanitsyna, G. Fraux, S. De, and M. Ceriotti, “Surface segregation in high-entropy alloys from alchemical machine learning,” J. Phys. Mater. 7(2), 025007 (2024).
2022

R. K. Cersonsky, M. Pakhnova, E. A. Engel, and M. Ceriotti, “A data-driven interpretation of the stability of organic molecular crystals,” Chem. Sci. 14(5), 1272–1285 (2023).
2021

J. Nigam, S. Pozdnyakov, and M. Ceriotti, “Recursive evaluation and iterative contraction of N -body equivariant features,” J. Chem. Phys. 153(12), 121101 (2020).
2020

M. Veit, D. M. Wilkins, Y. Yang, R. A. DiStasio, and M. Ceriotti, “Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles,” J. Chem. Phys. 153(2), 024113 (2020).
2019

M. J. Willatt, F. Musil, and M. Ceriotti, “Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements,” Physical Chemistry Chemical Physics 20(47), 29661–29668 (2018).
2018

A. Grisafi, A. Fabrizio, B. Meyer, D. M. Wilkins, C. Corminboeuf, and M. Ceriotti, “Transferable Machine-Learning Model of the Electron Density,” ACS Central Science 5(1), 57–64 (2019).
2017

E. A. Engel, A. Anelli, M. Ceriotti, C. J. Pickard, and R. J. Needs, “Mapping uncharted territory in ice from zeolite networks to ice structures,” Nature Communications 9(1), 2173 (2018).
2016

P. Gasparotto, A. A. Hassanali, and M. Ceriotti, “Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water,” Journal of Chemical Theory and Computation 12(4), 1953–1964 (2016).
2015

S. De, A. P. Bartók, G. Csányi, and M. Ceriotti, “Comparing molecules and solids across structural and alchemical space,” Physical Chemistry Chemical Physics 18(20), 13754–13769 (2016).