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Automating first-principles phase diagram calculations

✍ Scribed by A. van de Walle; G. Ceder

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

First-principles calculation of the Ni-C

✍ M. Kosugi; N.C. Tso; J.M. Sanchez 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 467 KB

First principle calculations of the NiC

✍ N.C. Tso; M. Kosugi; J.M. Sanchez 📂 Article 📅 1988 🏛 Elsevier Science 🌐 English ⚖ 98 KB

Constraints on the phase diagram of moly

✍ Cazorla, C.; Alfè, D.; Gillan, M. 📂 Article 📅 2012 🏛 The American Physical Society 🌐 English ⚖ 657 KB

Density of Configurational States from F

✍ Mikael Borg; Catherine Stampfl; Anders Mikkelsen; Johan Gustafson; Edvin Lundgre 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 153 KB

Automation of phase diagram recording

✍ J. Rouse; S. T. Adamy; A. Mehreteab; G. Broze 📂 Article 📅 1995 🏛 Springer-Verlag 🌐 English ⚖ 480 KB

First principles surface phonon calculat

✍ K.M. Ho; K.P. Bohnen 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 461 KB