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Quantum ESPRESSO

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Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. Quantum ESPRESSO stands for opEn Source Package for Research in ... [More] Electronic Structure, Simulation, and Optimization. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project. Researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes. [Less]

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  0 reviews  |  2 users  |  372,178 lines of code  |  35 current contributors  |  Analyzed 12 days ago
  ultrasoft nanoscale electronic_structure gpu high_performance_computing scientific physics planes-waves density-functional-theory fortran condensed_matter simulation 4 more...
 
 
 
 

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