First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr2(WO4)(PO4)2

by Philippe F. Weck, Eunja Kim, Margaret E. Gordon, Jeffery A. Greathouse, Rémi Dingreville, Charles R. Bryan
Published 2018-11-01

Model representations of kerogen structures: An insight from density functional theory calculations and spectroscopic measurements

by Philippe F. Weck, Eunja Kim, Yifeng Wang, Jessica N. Kruichak, Melissa M. Mills, Edward N. Matteo, Roland J.-M. Pellenq
Published 2017-08-01