Morgan, Dane

Computational materials science for materials design
Ab initio electronic structure methods and multiscale techniques for large time / length scales and thermokinetics
Statistical and data mining techniques for materials property prediction
Physics of nanoscale phenomena in ceramic and biochemical systems
Application areas: Nuclear materials, Battery and fuel cell electrodes, Earth mantle materials, Spin transition ceramics, Sorption at water mineral interfaces

Selected Awards, Honors and Societies

3M Technical Nontenured Faculty Grant (2006-)
Top paper award, CALPHAD journal (2005)
Top paper award, J. Phys-Condens. Mat. (2003)

Selected Publications

Ab initio Study of the Composition Dependence of the Pressure-induced Spin Transition in the (Mg1−x,Fex)SiO3 system, A. Bengtson, K. Persson, D. Morgan, Earth and Planetary Science Letters 265, 535 (2008).
Instability of Supported Platinum Nanoparticles in Low-Temperature Fuel Cells, Y. Shao-Horn, W.C. Sheng, S. Chen, P.J. Ferreira, E. Holby, D. Morgan, Topics in Catalysis 46, 285 (2007).
Ab-initio Study of the Effects of Thin CsI coatings on the Work Function of Graphite Cathodes, V. Vlahos, D. Morgan, and J.H. Booske, Applied Phys. Lett. 91, 144102 (2007).
Ab initio Study of the Composition Dependence of the Pressure-induced Spin Transition in the (Mg1−x,Fex)O system, K. Persson, G. Ceder, A. Berta, D. Morgan, Geophys. Res. Lett., 33, L16306 (2006).
Predicting Crystal Structure: Merging Data Mining with Quantum Mechanics, C. Fischer, K. Tibbetts, D. Morgan, and G. Ceder, Nature Materials 5, 641 (2006).
Spin Transitions in the (Fex,Mn1-x)S2 System, K. Persson, D. Morgan, and G. Ceder, Phys. Rev. B 73, 115206 (2006).
Predicting Crystal Structure: Merging Data Mining with Quantum Mechanics, C. Fischer, K. Tibbetts, D. Morgan, and G. Ceder, Nature Materials 5, 641 (2006).
Coarse Graining Protein Energetics with Cluster Expansion, F. Zhou, G. Grigoryan, A. Keating, G. Ceder, S. Lustig, D. Morgan, Phys. Rev. Lett. 95, 148103 (2005).
Instability of Pt/C Electrocatalysts in Proton Exchange Membrane Fuel Cells: A mechanistic investigation, P.J. Ferreira, G.J. la O', Y. Shao-Horn, D. Morgan, R. Makharia, S. Kocha, H. Gasteiger, J. Elect. Soc. 52, A2256 (2005).
Accuracy of Ab-Initio Methods in Predicting the Crystal Structures of Metals: Review of 80 Binary Alloys, S. Curtarolo, D. Morgan, G. Ceder, CALPHAD 29, 163 (2005).
High-Throughput and Data Mining with Ab-Initio Methods, D. Morgan, S. Curtarolo, G. Ceder, Meas. Sci. & Tech. 16, 296 (2005).
Towards more accurate first-principles prediction of redox potentials in transition-metal compounds with LDA+U, F. Zhou, M. Cococcioni, C.A. Marianetti, D. Morgan, G. Ceder, Phys. Rev. B. 70, 235121 (2004).
Li Conductivity in LixMPO4 (M = Mn, Fe, Co, Ni) Olivine Materials, D. Morgan, A. Van der Ven, G. Ceder, Electrochem. Solid State Lett. 7, A30 (2004).
Predicting Crystal Structures with Data Mining of Quantum Calculations, S. Curtarolo, D. Morgan, K. Persson, G. Ceder, J. Rodgers, Phys. Rev. Lett. 91, 135503 (2003).

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Copyright 2008 The Board of Regents of the University of Wisconsin System
Date last modified: 27-Apr-2008
Content by: ddmorgan@wisc.edu
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