Equivariant Neural Networks Utilizing Molecular Clusters for Accurate Molecular Crystal Lattice Energy Predictions
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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Engineering topics
de Jong, Wibe A.
Publications and source records attributed to de Jong, Wibe A..
Report for the ASCR Workshop on Basic Research Needs in Quantum Computing and Networking - 2023
Employing quantum mechanical resources in computing and networking opens the door to new computation and communication models and potential disruptive advantages over classical counterparts. However, quantifying and realizing such advantages face extensive scientific and engineering challenges. Investments by the Department of Energy (DOE) have driven progress toward addressing such challenges. Quantum algorithms have been recently developed, in some cases offering asymptotic exponential advantages in speed or accuracy, for fundamental scientific problems such as simulating physical systems, solving systems of linear equations, or solving differential equations. Empirical demonstrations on nascent quantum hardware suggest better performance than classical analogs on specialized computational tasks favorable to the quantum computing systems. However, demonstration of an end-to-end, substantial and rigorously quantifiable quantum performance advantage over classical analogs remains a grand challenge, especially for problems of practical value. The definition of requirements for quantum technologies to exhibit scalable, rigorous, and transformative performance advantages for practical applications also remains an outstanding open question, namely, what will be required to ultimately demonstrate practical quantum advantage?
97 MATHEMATICS AND COMPUTING↗
4f-Orbital mixing increases the magnetic susceptibility of Cp′ 3 Eu
X-ray absorption spectroscopy and variable temperature magnetometry show evidence of 4f-orbital mixing in Cp′ 3 Eu, which increases its magnetic susceptibility.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗