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Efficient approach to compute melting properties fully from ab initio with application to Cu, , and . Physical Review B, 96 (22): 224202 (2017)Accurate electronic free energies of the 3d,4d, and 5d transition metals at high temperatures, , , , and . Physical Review B, 95 (16): 165126 (2017)Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles, , and . Physical Review Materials, 2 (3): 030601 (2018)Finite temperature ab initio calculated thermodynamic properties of orthorhombic Cr3C2, , , and . Calphad, (2016)A machine learning approach to model solute grain boundary segregation, , , and . npj Computational Materials, (2018)Multiscale description of dislocation induced nano-hydrides, , and . Acta Materialia, (2015)Thermally-activated dislocation mobility in bcc metals: An accelerated molecular dynamics study, and . Computational Materials Science, (2021)Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni, , , , and . Physical Review B, 101 (14): 144108 (2020)Correlation Analysis of Strongly fluctuating Atomic Volumes, Charges, and Stresses in Body-Centered Cubic Refractory High-Entropy Alloys, , , , and . Physical Review Materials, 4 (2): 023608 (2020)Phenomenon of ultra-fast tracer diffusion of Co in HCP high entropy alloys, , , , , , , , and . Acta Materialia, (2020)