Publikationen von Stefano Curtarolo

Zeitschriftenartikel (15)

2019
Zeitschriftenartikel
Alberi, K., M.B. Nardelli, A. Zakutayev, L. Mitas, S. Curtarolo, A. Jain, M. Fornari, N. Marzari, I. Takeuchi, M.L. Green, M. Kanatzidis, M.F. Toney, S. Butenko, B. Meredig, S. Lany, U.R. Kattner, A. Davydov, E.S. Toberer, V. Stevanovic, A. Walsh, N.-G. Park, A. Aspuru-Guzik, D.P. Tabor, J. Nelson, J. Murphy, A. Setlur, J. Gregoire, H. Li, R. Xiao, A. Ludwig, L.W. Martin, A.M. Rappe, S.-H. Wei und J. Perkins: The 2019 materials by design roadmap. Journal of Physics D: Applied Physics 52 (1), 013001 (2019).
Zeitschriftenartikel
Friedrich, R., D. Usanmaz, C. Oses, A. Supka, M. Fornari, M.B. Nardelli, C. Toher und S. Curtarolo: Coordination corrected ab initio formation enthalpies. npj Computational Materials 5, 59 (2019).
Zeitschriftenartikel
Hicks, D., M.J. Mehl, E. Gossett, C. Toher, O. Levy, R.M. Hanson, G. Hart und S. Curtarolo: The AFLOW Library of Crystallographic Prototypes: Part 2. Computational Materials Science 161 (Suppl.), S1–S1011 (2019).
Zeitschriftenartikel
Nath, P., D. Usanmaz, D. Hicks, C. Oses, M. Fornari, M. Buongiorno Nardelli, C. Toher und S. Curtarolo: AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids. Physical Review Materials 3 (7), 073801 (2019).
2018
Zeitschriftenartikel
Gossett, E., C. Toher, C. Oses, O. Isayev, F. Legrain, F. Rose, E. Zurek, J. Carrete, N. Mingo, A. Tropsha und S. Curtarolo: AFLOW-ML: A RESTful API for machine-learning predictions of materials properties. Computational Materials Science 152, 134–145 (2018).
Zeitschriftenartikel
Hever, A., C. Oses, S. Curtarolo, O. Levy und A. Natan: The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry 57 (2), 653–667 (2018).
Zeitschriftenartikel
Hicks, D., C. Oses, E. Gossett, G. Gomez, R.H. Taylor, C. Toher, M.J. Mehl, O. Levy und S. Curtarolo: AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals. Acta Crystallographica A 74 (3), 184–203 (2018).
Zeitschriftenartikel
Lederer, Y., C. Toher, K.S. Vecchio und S. Curtarolo: The search for high entropy alloys: A high-throughput ab-initio approach. Acta Materialia 159, 364–383 (2018).
Zeitschriftenartikel
Legrain, F., A.van Roekeghem, S. Curtarolo, J. Carrete, G.K.H. Madsen und N. Mingo: Vibrational Properties of Metastable Polymorph Structures by Machine Learning. Journal of Chemical Information and Modeling 58 (12), 2460–2466 (2018).
Zeitschriftenartikel
Nardelli, M.B., F.T. Cerasoli, M. Costa, S. Curtarolo, R. De Gennaro, M. Fornari, L. Liyanage, A.R. Supka und H. Wang: PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials. Computational Materials Science 143, 462–472 (2018).
Zeitschriftenartikel
Oses, C., E. Gossett, D. Hicks, F. Rose, M.J. Mehl, E. Perim, I. Takeuchi, S. Sanvito, M. Scheffler, Y. Lederer, O. Levy, C. Toher und S. Curtarolo: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling 58 (12), 2477–2490 (2018).
Zeitschriftenartikel
Ouyang, R., S. Curtarolo, E. Ahmetcik, M. Scheffler und L.M. Ghiringhelli: SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates. Physical Review Materials 2 (08), 083802 (2018).
Zeitschriftenartikel
Sarker, P., T. Harrington, C. Toher, C. Oses, M. Samiee, J.-P. Maria, D.W. Brenner, K.S. Vecchio und S. Curtarolo: High-entropy high-hardness metal carbides discovered by entropy descriptors. Nature Communications 9 (1), 4980 (2018).
Zeitschriftenartikel
Stanev, V., C. Oses, A.G. Kusne, E. Rodriguez, J. Paglione, S. Curtarolo und I. Takeuchi: Machine learning modeling of superconducting critical temperature. npj Computational Materials 4, 29 (2018).
Zeitschriftenartikel
Usanmaz, D., P. Nath, C. Toher, J.J. Plata, R. Friedrich, M. Fornari, M.B. Nardelli und S. Curtarolo: Spinodal Superlattices of Topological Insulators. Chemistry of Materials 30 (7), 2331–2340 (2018).
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