88 citations · 138 across the 5 of their papers we have counts for
6 papers
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
Use of multigrids to reduce the cost of performing interpolative separable density fitting
Kori E. Smyser, Alec White, Sandeep Sharma
In this article, we present an interpolative separable density fitting (ISDF) based algorithm to calculate exact exchange in periodic mean field calculations. In the past, decompos…
Triplet-Pair Spin Signatures from Macroscopically Aligned Heteroacenes in an Oriented Single Crystal
Brandon K. Rugg, Kori E. Smyser, Brian Fluegel +6
The photo-driven process of singlet fission generates coupled triplet pairs (TT) with fundamentally intriguing and potentially useful properties. The quintet 5TT0 sublevel is parti…
Entangled, Spin-polarized Excitons from Singlet Fission in a Rigid Dimer
Ryan D. Dill, Kori E. Smyser, Niels H. Damrauer +1
Singlet fission, a process that splits a singlet exciton into a biexciton, has promise in quantum information. We report time-resolved electron paramagnetic resonance measurements…
Clock Transitions Guard Against Spin Decoherence in Singlet Fission
Sina G. Lewis, Kori E. Smyser, Joel D. Eaves
Short coherence times present a primary obstacle in quantum computing and sensing applications. In atomic systems, clock transitions (CTs), formed from avoided crossings in an appl…
Singlet fission for quantum information and quantum computing: The parallel JDE model
Kori Smyser, Joel Eaves
Singlet fission is a photoconversion process that generates a doubly excited, maximally spin entangled pair state. This state has applications to quantum information and computing…