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PAICS

Parallelized ab initio Calculation System based on FMO


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NEWS
2013.02.15 A paper using PAICS, "A Minimal Implementation of the AMBER-PAICS Interface for Ab Initio FMO-QM/MM-MD Simulation", was published in Bull. Chem. Soc. Jap.
2013.01.15 A paper using PAICS, "Theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method", was published in Chem. Phys. Phys. Chem.
2012.04.26 The source code is open to the public free of charge togeter with an English manual. (HOW TO GET)
2012.01.15 A paper using PAICS, "RI-MP2 Gradient Calculation of Large Molecules using the Fragment Molecular Orbital Method", was published in J. Phys. Chem. Lett.
2011.02.02 Homepage was redesigned
2011.01.11 The source code is open to the public free of charge. But now, only Japanese manuals and order form are available. English versions are in preparation.
2010.09.27 A paper using PAICS, "Partial energy gradient based on the fragment molecular orbital method: application to geometry optimization", was published in Chem. Phys. Lett.
2010.05.19 Homepage was opened to the public