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Disambiguation of "Trickey, Samuel B."

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Comment on ä minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation".

, , , , , , and . J. Comput. Chem., 33 (19): 1643-1644 (2012)

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B Schäfers

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B Wiederanders

B Klösgen

B Strauß

 

Other publications of authors with the same name

PUPIL: A systematic approach to software integration in multi-scale simulations., , , , , , and . Comput. Phys. Commun., 177 (3): 265-279 (2007)Performance Enhancement of APW+lo Calculations by Simplest Separation of Concerns., , , , and . Comput., 10 (3): 43 (2022)Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets., , and . Comput. Phys. Commun., (2017)Improved analytical representation of combinations of Fermi-Dirac integrals for finite-temperature density functional calculations., , and . Comput. Phys. Commun., (2015)Finite-temperature orbital-free DFT molecular dynamics: Coupling Profess and Quantum Espresso., , and . Comput. Phys. Commun., 185 (12): 3240-3249 (2014)Comment on ä minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation"., , , , , , and . J. Comput. Chem., 33 (19): 1643-1644 (2012)A versatile AMBER-Gaussian QM/MM interface through PUPIL., , , , and . J. Comput. Chem., 29 (10): 1564-1573 (2008)Incorporation of deMon2k as a new parallel quantum mechanical code for the PUPIL system., , and . J. Comput. Chem., 31 (14): 2669-2676 (2010)Issues and challenges in orbital-free density functional calculations., and . Comput. Phys. Commun., 183 (12): 2519-2527 (2012)