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Thermodynamic limits to energy conversion in solar thermal fuels
David A Strubbe, Jeffrey C Grossman
Solar thermal fuels (STFs) are an unconventional paradigm for solar energy conversion and storage which is attracting renewed attention. In this concept, a material absorbs sunligh…
Deep Learning and Density Functional Theory
Kevin Ryczko, David Strubbe, Isaac Tamblyn
We show that deep neural networks can be integrated into, or fully replace, the Kohn-Sham density functional theory scheme for multi-electron systems in simple harmonic oscillator…
Orbital magneto-optical response of periodic insulators from first principles
Irina V. Lebedeva, David A. Strubbe, Ilya V. Tokatly +1
Magneto-optical response, i.e. optical response in the presence of a magnetic field, is commonly used for characterization of materials and in optical communications. However, quan…