September 2024

automated-processing-of-chromatograms:-a-comprehensive-python-package-with-gui-for-intelligent-peak-identification-and-deconvolution-in-chemical-reaction-analysis

Automated Processing of Chromatograms: A Comprehensive Python Package with GUI for Intelligent Peak Identification and Deconvolution in Chemical Reaction Analysis

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00214H, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Julius Hillenbrand, Giulio Volpin, Klavs F. Jensen, Maximilian Lübbesmeyer, Rachel Nicholls, Jan Obořil , Thorsten Gressling, Christian HaasReaction screening and high-throughput experimentation

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physics-informed-neural-networks-and-beyond:-enforcing-physical-constraints-in-quantum-dissipative-dynamics

Physics-Informed Neural Networks and Beyond: Enforcing Physical Constraints in Quantum Dissipative Dynamics

Digital Discovery, 2024, Accepted ManuscriptDOI: 10.1039/D4DD00153B, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Arif Ullah, Yu Huang, Ming Yang, Pavlo O. DralNeural networks (NNs) accelerate simulations of quantum dissipative dynamics. Ensuring that these simulations adhere to fundamental

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