activity
20162023
most citedToward CL-20 crystalline covalent solids: On the dependence of energy and electronic properties on the effective size of CL-20 chains

38 citations · 42 across the 6 of their papers we have counts for

collaborators
Showing 2019Show all

2 papers · 1 filter

physics.chem-ph2019

Molecular hyperdynamics coupled with the nonorthogonal tight-binding approach: Implementation and validation

Konstantin P. Katin, Konstantin S. Grishakov, Alexey I. Podlivaev +1

We present the molecular hyperdynamics algorithm and its implementation to the nonorthogonal tight-binding model NTBM and the corresponding software. Due to its multiscale structur…

cond-mat.mtrl-sci2019

Silicon rebirth: Metallic prismane allotropes of silicon for the next-gen technologies

Konstantin Katin, Konstantin Grishakov, Margarita Gimaldinova +1

We report the prediction of metallic quasione-dimensional -hybridized silicon allotropes in the form of prismanes. Silicon prismanes or polysilaprismanes are the silicon na…