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Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
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NAMD goes quantum: an integrative suite for hybrid simulations

Marcelo C R Melo1,2, Rafael C Bernardi1, Till Rudack1,3

  • 1NIH Center for Macromolecular Modeling and Bioinformatics, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois, USA.

Nature Methods
|March 27, 2018
PubMed
Summary

Hybrid quantum mechanics/molecular mechanics (QM/MM) methods enable reaction mechanism studies. The QwikMD suite integrates popular QM/MM software for streamlined setup, execution, and analysis of complex biological systems.

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