Pillar 3

Published datasets resulting from Pillar 3 "Digital Infrastructure of Open Simulations and Data".

10.24435/materialscloud:36-nd — The Materials Cloud 2D database (MC2D), by D. Campi, N. Mounet, M. Gibertini, G. Pizzi, N. Marzari
Related MARVEL publication:
- D. Campi, N. Mounet, M. Gibertini, G. Pizzi, N. Marzari, Novel materials in the Materials Cloud 2D database, arXiv:2210.11301 (2022). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4, DD3
10.17632/26py5zz9f8.1 — OSSCAR, an open platform for collaborative development of computational tools for education in science, by J. Ballantyne
Related MARVEL publication:
- D. Du, T. J. Baird, S. Bonella, G. Pizzi, OSSCAR, an Open Platform for Collaborative Development of Computational Tools for Education in Science, Computer Physics Communications 282, 108546 (2023). [Open Access URL]
  Group(s): Bonella, Pizzi / Project(s): P3
10.24435/materialscloud:9g-k6 — Thermodynamics and dielectric response of BaTiO₃ by data-driven modeling, by L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, M. Ceriotti
Related MARVEL publication:
- L. Gigli, M. Veit, M. Kotiuga, G. Pizzi, N. Marzari, M. Ceriotti, Thermodynamics and dielectric response of BaTiO_3 by data-driven modeling, npj Computational Materials 8, 209 (2022). [Open Access URL]
  Group(s): Ceriotti, Marzari, Pizzi / Project(s): P2, P3, P4
10.24435/materialscloud:jc-ky — A microscopic picture of paraelectric perovskites from structural prototypes, by M. Kotiuga, S. Halilov, B. Kozinsky, M. Fornari, N. Marzari, G. Pizzi
Related MARVEL publication:
- M. Kotiuga, S. Halilov, B. Kozinsky, M. Fornari, N. Marzari, G. Pizzi, Microscopic picture of paraelectric perovskites from structural prototypes, Physical Review Research 4, L012042 (2022). [Open Access URL]
  Group(s): Marzari, Pizzi / Project(s): P3, P4, OSP
10.24435/materialscloud:m4-7f — Machine-learning accelerated identification of exfoliable two-dimensional materials, by M. Tohidi Vahdat, K. Agrawal Varoon, G. Pizzi
Related MARVEL publication:
- M. T. Vahdat, K. V. Agrawal, G. Pizzi, Machine-learning accelerated identification of exfoliable two-dimensional materials, Machine Learning: Science and Technology 3, 045014 (2022). [Open Access URL]
  Group(s): Pizzi / Project(s): P3