Publications
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2026
- Physics-aware representation learning on electronic charge density for materials property prediction Journal of Chemical Information and Modeling 66 (12), 7113–7123 doiarXivcode
2025
- Multiscale modeling of abnormal grain growth: Role of solute segregation and grain boundary character Acta Materialia doiarXiv
- A robust method of denoising experimental micrographs using deep learning Materials Characterization 223, 114963 doi
- Effect of Cr segregation on grain growth in nanocrystalline α-Fe alloy: A multiscale modeling approach Computational Materials Science 247, 113509 doiarXiv
2024
- Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning Physical Review B 109 (21), 214102 doi
- μ2mech: A software package combining microstructure modeling and mechanical property prediction Physica Scripta 99 (5), 055256 doi
- Influence of micro-segregation on the microstructure and microhardness of MoNbTaxTi1−xW refractory high entropy alloys: Experimental and DFT approach Intermetallics 164, 108080 doi
2023
- The effect of Si addition on the structure and mechanical properties of equiatomic CoCrFeMnNi high entropy alloy by experiment and simulation Materialia 27, 101707 doi
- Lattice distortion in FCC HEAs and its effect on mechanical properties: Critical analysis and way forward Journal of Applied Physics 133 (15) doi
- Deformation in metals: Insights from ab initio calculations International Conference on Metallurgical Engineering and Centenary (conference paper)
2022
- The effect of Al addition on solid solution strengthening in CoCrFeMnNi: Experiment and modelling Acta Materialia 238, 118208 doi
- Effect of pressure on stacking fault energy and deformation behavior of face-centered cubic metals Materialia 26, 101598 doi
Preprints and manuscripts in preparation
- Effect of germanium addition on the microstructural evolution and mechanical properties of equiatomic CoCrFeMnNi high entropy alloy SSRN preprint 4975074 ssrn
- Molecular dynamics investigation of the structural characteristics of CaO–SiO2–Na2O–Al2O3 slag In preparation
- Multiscale study of the evolution of roll-bonded Cu–Ta using ab initio and phase-field simulation In preparation