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  4. Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic (HPC Systems Co., Ltd.)
Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic-GRRM-Basic
Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic-HPC Systems Co., Ltd.

Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic
HPC Systems Co., Ltd.

About This Product

■Product overview

・The world's first program to automatically explore unknown chemistry using the predictability of quantum chemistry ・2002: Tohoku University professor Koichi Ohno, 1st year master's student Osamu Maeda (currently Hokkaido University professor), development started, ・Purely domestically produced cutting-edge technological innovations that have achieved things that were previously considered impossible and are still evolving.

■You can see all the reactions.

GRRM allows you to automatically search for all the products that can be produced from that molecule, all the reactants that can produce them, and all the reaction routes by simply inputting just one molecule. It can be used in various fields such as catalyst design and material screening.

■Very fast and practical.

With the conventional GRRM program, it could take up to a year to calculate the reaction path for a molecule with at most 10 atoms. The NeoGRRM method used in GRRM-Basic has been able to perform calculations in just 10 days by introducing a new algorithm and supporting inter-node parallel calculations. Various options for speeding up the search by specifying search conditions can be used in the same way as with conventional programs, so reactions of molecules with around 100 atoms can be comprehensively calculated in a practical amount of time.

■Features

- Can be used for various research and development. - Equipped with many options to accelerate calculations. - Faster than ever before. ・Improve research efficiency when used in combination with Reaction plus.

  • Product

    Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic

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1 Models of Quantum Chemistry Automatically search all reaction paths by inputting just one molecule GRRM-Basic

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GRRM-Basic

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