Quantum Materials for Energy-Efficient Computing
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https://doi.org/10.1007/s11837-020-04293-3 Ó 2020 The Minerals, Metals & Materials Society
QUANTUM MATERIALS FOR ENERGY-EFFICIENT COMPUTING
Quantum Materials for Energy-Efficient Computing SUGATA CHOWDHURY,1,2,3,7 HOULONG ZHUANG,3,8 SHAWN COLEMAN ,3,4,9 SRIKANTH PATALA,3,5,10 and JACOB BAIR3,6,11 1.—National Institute of Standards and Technology, Gaithersburg, MD 20899, USA. 2.—Department of Physics and Astronomy, Howard University, Washington, DC 20059, USA. 3.—School for Engineering of Matter, Transport and Energy, Arizona State University, Tempe, AZ 85287, USA. 4.—U.S. Army Research Laboratory, Aberdeen Proving Ground, MD 21005, USA. 5.—Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC 27695, USA. 6.—Department of Mechanical Engineering, Brigham Young University, Provo, UT, USA. 7.—e-mail: [email protected]. 8.—e-mail: [email protected]. 9.—e-mail: shawn.p. [email protected]. 10.—e-mail: [email protected]. 11.—e-mail: [email protected]
Recent advancements in experimental tools, computational methods, computing power, and materials informatics present us with an exciting opportunity to predictively discover and design materials for a variety of technologically relevant applications. In particular, quantum mechanical ab initio methods such as density functional theory, dynamical mean-field theory, quantum Monte-Carlo simulations, and time-dependent density functional theory have been playing a pivotal role in developing a fundamental microscopic understanding of complex phenomena, and in the discovery and design of a number of quantum materials for energy applications. The current topic, ‘‘Quantum Materials for Energy-Efficient Computing,’’ offer JOM-readers with an update on recent progress in this field. All the included papers on this topic have been invited. They cover the state-of-the-art in the application as well as the integration of computational methods, particularly ab initio simulation methods, with experiments and materials informatics applied to the discovery and design of emerging materials. Multiporphyrin supramoleculars are very interesting and versatile classes of p-conjugated systems and very useful for optical switches, conductive materials, and nonlinear optics. One of the unsolved problems related to these materials is the effect of
Sugata Chowdhury, Houlong Zhuang, Shawn Coleman, and Jacob Bair are JOM Advisors, and Srikanth Patala is guest editor for this topic, which is sponsored by the Computational Materials Science and Engineering Committee of TMS. (Received July 14, 2020; accepted July 14, 2020)
(Published online August 9, 2020)
the end-group molecules on the different optical properties and applications. The first paper, ‘‘SpinPolarized Transport and Optoelectronic Properties of a Novel-Designed Architecture with a PorphyrinBased Wheel and Organometallic Multidecker Sandwich Complex-Based Axle’’ by Gao et al., discusses the architecture of the novel ‘‘wheel-andaxle’’ molecule (c-P6)m/(FeBz)n, with (c-P6). In this article, t
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