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ENVIRON

References

Cite Environ

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Please cite the following references when using the Environ module for scientific publications: 
O. Andreussi, I. Dabo and N. Marzari, “Revised self-consistent continuum solvation in electronic structure calculations”,
J. Chem. Phys., 136, 064102 (2012), ​http://dx.doi.org/10.1063/1.3676407​​.
P. Giannozzi, O. Andreussi, et. al, “Advanced capabilities for materials modelling with QUANTUM ESPRESSO”,
J. Phys.-Condens. Mat., 29, 465901 (2017), https://doi.org/10.1088/1361-648X/aa8f79.
Cite Environ

Tutorial review on continuum models

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O. Andreussi and G. Fisicaro, “Continuum embeddings in condensed-matter simulations”,
Int. J. Quantum Chem., 119, e25725 (2019), https://doi.org/10.1002/qua.25725.
Tutorial review

Environ's Methods

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Methods

Applications of Environ​

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Applications
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  • Home
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