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2024_Unified_Framework_OQ_Code_and_Data
2024_Unified_Framework_OQ_Code_and_Data PublicUnified Framework for Open Quantum Dynamics with Memory: Code and Data
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gto-based-gcdft-data
gto-based-gcdft-data PublicThis repository contains all of the raw data, Q-Chem inputs, and plotting scripts for the paper "Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Comput…
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This repository contains all of the raw data, Q-Chem inputs, and plotting scripts for the paper "Gaussian-Based Periodic Grand Canonical Density Functional Theory with Implicit Solvation for Computational Electrochemistry"
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ipie stands for Intelligent Python-based Imaginary-time Evolution with a focus on simplicity and speed.
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Unified Framework for Open Quantum Dynamics with Memory: Code and Data
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