Facultad de Química
Centro
Centro Nacional de Supercomputación
Barcelona, EspañaPublicaciones en colaboración con investigadoras/es de Centro Nacional de Supercomputación (3)
2020
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Siesta: Recent developments and applications
The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108
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The CECAM electronic structure library and the modular software development paradigm
The Journal of chemical physics, Vol. 153, Núm. 2, pp. 024117
2018
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Controlled manipulation of enzyme specificity through immobilization-induced flexibility constraints
Applied Catalysis A: General, Vol. 565, pp. 59-67