7 citations · 8 across the 5 of their papers we have counts for
5 papers
Automated Prediction of Thermodynamic Properties via Bayesian Free-Energy Reconstruction from Molecular Dynamics
Ekaterina Spirande, Timofei Miryashkin, Andrei Kolmakov +1
Accurate free-energy calculations are essential for predicting thermodynamic properties and phase stability, but existing methods are limited: phonon-based approaches neglect anhar…
Clarifying the Ti-V Phase Diagram Using First-Principles Calculations and Bayesian Learning
Timofei Miryashkin, Olga Klimanova, Alexander Shapeev
Conflicting experiments disagree on whether the titanium-vanadium (Ti-V) binary alloy exhibits a body-centred cubic (BCC) miscibility gap or remains completely soluble. A leading h…
Solute diffusion calculation in Fe-Si and Fe-Cr-Si multicomponent alloys
Timofei Miryashkin, Ivan Novoselov, Alexey Yanilkin
Diffusion plays a key role in microstructure evolution at multicomponent alloys: diffusion controls the kinetics of phase transformations and alloy homogenization. This study aims…
Bayesian inference of composition-dependent phase diagrams
Timofei Miryashkin, Olga Klimanova, Vladimir Ladygin +1
Phase diagrams serve as a highly informative tool for materials design, encapsulating information about the phases that a material can manifest under specific conditions. In this w…
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…