advanced-application-capillary-electrophoresis-high-resolution-serum

Advanced Application of Capillary Electrophoresis in High-resolution Serum Monoclonal Protein Detection

Monoclonal immunoglobulin, also known as M protein or paraprotein, is produced by clonal proliferation of plasma cells or B lymphocytes and serves as a ...

Southern Medical University

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design.

Lin-you Deng

Biography

JoVE Journal Publications

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