The is a research and education center that supports software development in the . One of ’s core objectives is to provide education and training for the next generation of computational researchers. Education targets various career stages and skill levels through its live workshops, online resources, and software fellowship program. Education focuses its efforts within four areas: programming and software development, and , faculty and curriculum development, and the software fellowship program. This article delineates educational efforts at the , overall goals, and resources that can be useful to researchers in the computational molecular sciences.
The realization of fractional quantum chemistry is presented. Adopting the integro-differential operators of the calculus of arbitrary-order, we develop a general framework for the description of quantum nonlocal effects in the complex electronic environments. After a brief overview of the historical and fundamental aspects of the calculus of arbitrary-order, various classes of fractional Schr\"odinger equations are discussed and pertinent controversies and open problems around their applications to model systems are detailed. We provide a unified approach toward fractional generalization of the quantum chemical models such as Hartree-Fock and Kohn-Sham density functional theory and develop fractional variants of the fundamental molecular integrals and correlation energy . Furthermore, we offer various strategies for modeling static- and dynamic-order quantum nonlocal effects through constant- and variable-order fractional operators, respectively. Possible directions for future developments of fractional quantum chemistry are also outlined..