20 citations · 21 across the 4 of their papers we have counts for
4 papers
MBD-ML: Many-body dispersion from machine learning for molecules and materials
Evgeny Moerman, Adil Kabylda, Almaz Khabibrakhmanov +1
Van der Waals (vdW) interactions are essential for describing molecules and materials, from drug design and catalysis to battery applications. These omnipresent interactions must a…
Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators
Almaz Khabibrakhmanov, Dmitry V. Fedorov, Alexandre Tkatchenko
Repulsive short-range and attractive long-range van der Waals (vdW) forces have an appreciable role in the behavior of extended molecular systems. When using empirical force fields…
Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties
Szabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli +2
The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and m…
Carbon on the nanoscale: Ultrastiffness and unambiguous definition of incompressibility
Almaz Khabibrakhmanov, Pavel Sorokin
In the presented work, the features of mechanical stiffness of carbon nanoparticles (nanodiamonds and fullerenes) in a wide range of sizes are considered. The enhancement of nanodi…