Professor in the Department of Mechanical Engineering and Materials Science
Professor in the Department of Physics (Secondary)
Professor in the Department of Electrical and Computer Engineering (Secondary)
Faculty Network Member of The Energy Initiative
- Nanoscale Science of Energy
- Computational materials science
- Nanotube growth characterization
- Alloy theory
- Superlubricity on quasicrystals
- Superconductivity in Metal borides
- Genetic Approaches to QM Predictions of Materials Structures
- Materials for Nuclear Detection
The research is multidisciplinary and makes use of state of the art techniques from fields like materials science, chemistry, physics, quantum mechanics, mathematics and computer science.
Morgan, D., et al. “High-throughput and data mining with ab initio methods.” Measurement Science and Technology, vol. 16, no. 1, Jan. 2005, pp. 296–301. Scopus, doi:10.1088/0957-0233/16/1/039. Full Text
Curtarolo, S., et al. “Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys.” Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 29, no. 3, Jan. 2005, pp. 163–211. Scopus, doi:10.1016/j.calphad.2005.01.002. Full Text
Wang, Y., et al. “Ab initio lattice stability in comparison with CALPHAD lattice stability.” Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 28, no. 1, Mar. 2004, pp. 79–90. Scopus, doi:10.1016/j.calphad.2004.05.002. Full Text
Curtarolo, S., et al. “Wetting transition behavior of Xe on Cs and Cs/graphite.” Physical Review B Condensed Matter and Materials Physics, vol. 70, no. 11, Jan. 2004. Scopus, doi:10.1103/PhysRevB.70.115403. Full Text
Morgan, Dane, et al. “Computational crystal structure prediction with high-through-put Ab initio and data mining methods.” Jom, vol. 56, no. 11, 2004.
Curtarolo, Stefano, et al. “Predicting crystal structures with data mining of quantum calculations.” Physical Review Letters, vol. 91, no. 13, Sept. 2003, p. 135503. Epmc, doi:10.1103/physrevlett.91.135503. Full Text
Morgan, D., et al. “Data mining approach to ab-initio prediction of crystal structure.” Materials Research Society Symposium Proceedings, vol. 804, Jan. 2003, pp. 343–48. Scopus, doi:10.1557/proc-804-jj9.25. Full Text
Curtarolo, S., and G. Ceder. “Dynamics of an inhomogeneously coarse grained multiscale system.” Physical Review Letters, vol. 88, no. 25 I, June 2002, pp. 2555041–44.
Curtarolo, Stefano, and Gerbrand Ceder. “Dynamics of an inhomogeneously coarse grained multiscale system.” Physical Review Letters, vol. 88, no. 25 Pt 1, June 2002, p. 255504. Epmc, doi:10.1103/physrevlett.88.255504. Full Text
Curtarolo, S., and G. Ceder. “Dynamics and thermodynamics of a system with multiple length scales.” Materials Research Society Symposium Proceedings, vol. 731, Jan. 2002, pp. 9–14. Scopus, doi:10.1557/proc-731-w4.4. Full Text