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Full-Text Articles in Quantum Physics
Scalability Improvements To Nrlmol For Dft Calculations Of Large Molecules, Carlos Manuel Diaz
Scalability Improvements To Nrlmol For Dft Calculations Of Large Molecules, Carlos Manuel Diaz
Open Access Theses & Dissertations
Advances in high performance computing (HPC) have provided a way to treat large, computationally demanding tasks using thousands of processors. With the development of more powerful HPC architectures, the need to create efficient and scalable code has grown more important. Electronic structure calculations are valuable in understanding experimental observations and are routinely used for new materials predictions. For the electronic structure calculations, the memory and computation time are proportional to the number of atoms. Memory requirements for these calculations scale as N2, where N is the number of atoms. While the recent advances in HPC offer platforms with large numbers …
Complex Gleason Measures And The Nemytsky Operator, Miguel Angel Valles
Complex Gleason Measures And The Nemytsky Operator, Miguel Angel Valles
Open Access Theses & Dissertations
This Thesis is devoted to generalize previous results on Gleason measures
to complex Gleason measures, and to develop a functional calculus
for complex measures in relation to the Nemytsky operator. Furthermore
we present the interpretation of our results in the field of quantum
mechanics, some concrete examples and further extensions of several
theorems.