Quantum Information for Quantum Chemistry
03 Feb 2012 | Online Presentations | Contributor(s): Sabre Kais
Quantum Information and Computation for Quantum Chemistry
14 Aug 2019 | Online Presentations | Contributor(s): Sabre Kais
Recently, Purdue University received $1.5 million in National Science Foundation (NSF) funding to establish a research center to study quantum information science. The Center for Quantum Information and Computation for Chemistry will investigate information techniques used to gain novel...
Openning Remarks
28 Oct 2019 | Online Presentations | Contributor(s): Sabre Kais
Opening remarks for Quantum Machine Learning and Data Analytics Workshop.
IWCN 2021: Recursive Open Boundary and Interfaces Method for Material Property Predictions
14 Jul 2021 | Online Presentations | Contributor(s): James Charles, Sabre Kais, Tillmann Christoph Kubis
In this presentation, we show that assuming periodicity elevates a small perturbation of a periodic cell into a strong impact on the material property prediction. Periodic boundary conditions can be applied on truly periodic systems only. More general systems should apply an open boundary...
Finite Size Scaling and Quantum Criticality
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09 May 2007 | Online Presentations | Contributor(s): Sabre Kais
The study of quantum phase transitions, which are driven by quantum fluctuations as a consequence of Heisenberg's uncertainty principle, continues to be of increasing interest in the fields of condensed matter and atomic and molecular physics. In this field we have established an analogy between...
02 Jan 2008 | Online Presentations | Contributor(s): Sabre Kais
In statistical mechanics, the finite size scaling method provides a systematic way to extrapolate information about criticality obtained from a finite system to the thermodynamic limit. For quantum systems, the finite size corresponds not to the spatial dimension but to the number of elements in...