LABORATORY OF MOLECULAR STRUCTURE AND DYNAMICS INSTITUTE OF CHEMISTRY, EÖTVÖS UNIVERSITY

On June 27, 2018, Prof. Bill Poirier (Texas Tech University, Lubbock, TX), a previous visitor to the KKRK group, received a two-year supplement for his existing NSF CHE 1665370 grant, entitled Massively Parallel Quantum Dynamics: Computing many accurate quantum states for real molecular applications. The supplement is aimed at establishing a strong collaboration between Poirier, Jonathan Tennyson (UCL, London), and Attila G. Császár and the KKRK team. The joint effort is directed toward enabling algorithmic improvements, joint code development and outreach activities, and the significant extension of the computational quantum dynamics user base. The collaboration will begin to explore the development of a common syntax for quantum dynamical rovibrational spectroscopy computations for the benefit of the various user communities currently impacted by the well-established quantum dynamics codes of the collaborators.

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