Publications of Stefano Curtarolo

Journal Article (15)

Journal Article
P. Nath, D. Usanmaz, D. Hicks, C. Oses, M. Fornari, M. Buongiorno Nardelli, C. Toher and S. Curtarolo: AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids. Physical Review Materials 3 (7), 073801 (2019).
Journal Article
R. Friedrich, D. Usanmaz, C. Oses, A. Supka, M. Fornari, M.B. Nardelli, C. Toher and S. Curtarolo: Coordination corrected ab initio formation enthalpies. npj Computational Materials 5, 59 (2019).
Journal Article
D. Hicks, M.J. Mehl, E. Gossett, C. Toher, O. Levy, R.M. Hanson, G. Hart and S. Curtarolo: The AFLOW Library of Crystallographic Prototypes: Part 2. Computational Materials Science 161 (Suppl.), S1–S1011 (2019).
Journal Article
K. Alberi, 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 and J. Perkins: The 2019 materials by design roadmap. Journal of Physics D: Applied Physics 52 (1), 013001 (2019).
Journal Article
F. Legrain, A.van Roekeghem, S. Curtarolo, J. Carrete, G.K.H. Madsen and N. Mingo: Vibrational Properties of Metastable Polymorph Structures by Machine Learning. Journal of Chemical Information and Modeling 58 (12), 2460–2466 (2018).
Journal Article
C. Oses, E. Gossett, D. Hicks, F. Rose, M.J. Mehl, E. Perim, I. Takeuchi, S. Sanvito, M. Scheffler, Y. Lederer, O. Levy, C. Toher and S. Curtarolo: AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling 58 (12), 2477–2490 (2018).
Journal Article
P. Sarker, T. Harrington, C. Toher, C. Oses, M. Samiee, J.-P. Maria, D.W. Brenner, K.S. Vecchio and S. Curtarolo: High-entropy high-hardness metal carbides discovered by entropy descriptors. Nature Communications 9 (1), 4980 (2018).
Journal Article
E. Gossett, C. Toher, C. Oses, O. Isayev, F. Legrain, F. Rose, E. Zurek, J. Carrete, N. Mingo, A. Tropsha and S. Curtarolo: AFLOW-ML: A RESTful API for machine-learning predictions of materials properties. Computational Materials Science 152, 134–145 (2018).
Journal Article
R. Ouyang, S. Curtarolo, E. Ahmetcik, M. Scheffler and 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).
Journal Article
Y. Lederer, C. Toher, K.S. Vecchio and S. Curtarolo: The search for high entropy alloys: A high-throughput ab-initio approach. Acta Materialia 159, 364–383 (2018).
Journal Article
V. Stanev, C. Oses, A.G. Kusne, E. Rodriguez, J. Paglione, S. Curtarolo and I. Takeuchi: Machine learning modeling of superconducting critical temperature. npj Computational Materials 4, 29 (2018).
Journal Article
D. Hicks, C. Oses, E. Gossett, G. Gomez, R.H. Taylor, C. Toher, M.J. Mehl, O. Levy and S. Curtarolo: AFLOW-SYM: platform for the complete, automatic and self-consistent symmetry analysis of crystals. Acta Crystallographica A 74 (3), 184–203 (2018).
Journal Article
D. Usanmaz, P. Nath, C. Toher, J.J. Plata, R. Friedrich, M. Fornari, M.B. Nardelli and S. Curtarolo: Spinodal Superlattices of Topological Insulators. Chemistry of Materials 30 (7), 2331–2340 (2018).
Journal Article
M.B. Nardelli, F.T. Cerasoli, M. Costa, S. Curtarolo, R. De Gennaro, M. Fornari, L. Liyanage, A.R. Supka and 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).
Journal Article
A. Hever, C. Oses, S. Curtarolo, O. Levy and A. Natan: The Structure and Composition Statistics of 6A Binary and Ternary Crystalline Materials. Inorganic Chemistry 57 (2), 653–667 (2018).
Go to Editor View