625 citations · 1.4k across the 20 of their papers we have counts for
3 papers · 2 filters
Mechanical properties of single and polycrystalline solids from machine learning
Faridun N. Jalolov, Evgeny V. Podryabinkin, Artem R. Oganov +2
Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of methods and low accuracy of empirical…
A machine learning potential-based generative algorithm for on-lattice crystal structure prediction
Vadim Sotskov, Alexander V. Shapeev, Evgeny V. Podryabinkin
We propose a method for crystal structure prediction based on a new structure generation algorithm and on-lattice machine learning interatomic potentials. Our algorithm generates t…
Accurate melting point prediction through autonomous physics-informed learning
Olga Klimanova, Timofei Miryashkin, Alexander Shapeev
We present an algorithm for computing melting points by autonomously learning from coexistence simulations in the NPT ensemble. Given the interatomic interaction model, the method…