40 citations · 80 across the 4 of their papers we have counts for
4 papers
Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study
Alexander N. Rudenko, Swagata Acharya, Ferenc Tasnádi +5
Crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups [Ji et…
Thermodynamic and electronic properties of ReN polymorphs at high-pressure
Ferenc Tasnádi, Florian Bock, Alena Ponomareva +4
High pressure synthesis of rhenium nitride pernitride ReN with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted…
Elinvar effect in Ti simulated by on-the-fly trained moment tensor potential
Alexander V. Shapeev, Evgeny V. Podryabinkin, Konstantin Gubaev +2
A combination of quantum mechanics calculations with machine learning (ML) techniques can lead to a paradigm shift in our ability to predict materials properties from first princip…
Macroscopic Elastic Properties of Textured ZrN--AlN Polycrystalline Aggregates: From Ab initio Calculations to Grain-Scale Interactions
David Holec, Peter Wagner, Ferenc Tasnádi +4
Despite the fast development of computational materials modelling, theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from ba…