Towards Fast and Reliable Quantum Chemical Modelling of Macromolecules

DOI10.1007/3-540-31618-3_17MaRDI QIDQ5484146zbMATH OpenOpenAlexFDO

Authors Yaoquan Tu, Aatto Laaksonen

Publication date 24 August 2006

Published in New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/3-540-31618-3_17

zbMATH Keywords

ab initio tight-bindingDFTMD simulationNDDOquantum chemistry

Mathematics Subject Classification ID

Molecular physics (81V55)

Cited in

(2)

• Computational methods for macromolecules: Challenges and applications. Proceedings of the 3rd international workshop on algorithms for macromolecular modeling, New York, NY, USA, October 12--14, 2000
• New challenges in quantum chemistry: quests for accurate calculations for large molecular systems

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