TRAVOLTA: GPU acceleration and algorithmic improvements for constructing quantum optimal control fields in photo-excited systems

DOI10.1016/J.CPC.2023.109017OpenAlexW4388907767MaRDI QIDQ6151878

Adrián Pérez Diéguez, Bryan M. Wong, Khaled Z. Ibrahim, José M. Rodríguez-Borbón, Xian Wang

Publication date: 12 February 2024

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2023.109017

zbMATH Keywords

parallelizationtime-dependent Schrödinger equationGPUsquantum optimal controlgradient ascent optimizationJohn Travolta

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10)

Cites Work

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• A Fourier-coefficient based solution of an optimal control problem in quantum chemistry
• A COKOSNUT code for the control of the time-dependent Kohn-Sham model
• Computational techniques for a quantum control problem with H ¹ -cost
• Numerical algorithms for high-performance computational science
• NIC-CAGE: an open-source software package for predicting optimal control fields in photo-excited chemical systems

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