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Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations., , , , , , , , and . Comput. Phys. Commun., (2021)First-Principles Calculations and CALPHAD Modeling of Thermodynamics. Journal of Phase Equilibria and Diffusion, (2009)First-principles study of binary bcc alloys using special quasirandom structures, , , , and . Phys. Rev. B, 69 (21): 214202 (June 2004)A combined CALPHAD/first-principles remodeling of the thermodynamics of Al-Sr: unsuspected ground state energies by "rounding up the (un)usual suspects", , , and . Acta Materialia, 52 (9): 2739 - 2754 (2004)Bonding charge density from atomic perturbations., , , and . J. Comput. Chem., 36 (13): 1008-1014 (2015)Spectral implementation of an adaptive moving mesh method for phase-field equations., , , , , and . J. Comput. Phys., 220 (1): 498-510 (2006)BiFeO3 domain wall energies and structures: a combined experimental and density functional theory+U study, , , , , , , , and . Physical review letters, 110 (26): 267601 (2013)Towards a Grid enabled system for multicomponent materials design., , and . CCGRID, page 664-669. IEEE Computer Society, (2004)Contribution of first-principles energetics to Al-Mg thermodynamic modeling, , and . Calphad, 29 (4): 303 - 311 (2005)Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system, , , , , and . Metallurgical and Materials Transactions A, (2005)