6 citations · 6 across the 3 of their papers we have counts for
3 papers
Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation
Auguste de Lambilly, Vladimir Baturin, David Portehault +4
Generative diffusion models have emerged as powerful tools for the discovery of inorganic crystal structures, yet steering their sampling process toward user-defined physical and c…
Simultaneous prediction of atomic structure and stability of nanoclusters in a wide area of compositions
S. V. Lepeshkin, V. S. Baturin, Yu. A. Uspenskii +1
We present a universal method for the large-scale prediction of the atomic structure of clusters. Our algorithm performs the joint evolutionary search for all clusters in a given a…
Electron correlations and silicon nanocluster energetics
N. L. Matsko, Yu. A. Uspenskii, E. V. Tikhonov +2
The first-principle prediction of nanocluster stable structure is often hampered by the existence of many isomer configurations with energies close to the ground state. This fact a…