3 citations · 3 across the 1 of their papers we have counts for
2 papers
physics.comp-ph2026
ML-COHP: predicting bond descriptors using latent space of a universal interatomic potentials
Daniil S. Alekseev, Ilya V. Chepkasov, Alexander G. Kvashnin
The integrated crystal orbital Hamilton population (ICOHP) is the standard measure of bond strength in a DFT calculation, but every structure needs its own DFT single point and LOB…
cond-mat.mtrl-sci2022★ 3 cited
Synthesis of technetium hydride TcH at 27 GPa
D. Zhou, D. V. Semenok, M. A. Volkov +7
In this work, we synthesize and investigate lower technetium hydrides at pressures up to 45 GPa using the synchrotron X-ray diffraction, reflectance spectroscopy, and ab initio cal…