Volume 7, Issue 4
Non-Markovian Transfer Tensor Method Used in a Chemical Reaction in Liquids

Huan Yang

J. At. Mol. Sci., 7 (2016), pp. 155-162.

Published online: 2016-07

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  • Abstract

In this paper, the non-Markovian transfer tensor method (TTM) suggested by Cao's group was utilized in a real chemical reaction in liquids from a classical point of view. From the results of this numerical simulation, dramatic enhancement in speed of calculations and decrease in computational cost are shown by applying TTM method. It is wise to be used in complex systems with lots of degrees, such as the process of protein folding or in treating propagations with mountains of data. For some specific quantities we are interested in, how to find a map from complex systems to simple ones and from huge freedoms to a few ones, such as just to one freedom in this paper, it remains something for us to do in the future.

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COPYRIGHT: © Global Science Press

  • Email address

h.yang@sdu.edu.cn (Huan Yang)

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@Article{JAMS-7-155, author = {Yang , Huan}, title = {Non-Markovian Transfer Tensor Method Used in a Chemical Reaction in Liquids}, journal = {Journal of Atomic and Molecular Sciences}, year = {2016}, volume = {7}, number = {4}, pages = {155--162}, abstract = {

In this paper, the non-Markovian transfer tensor method (TTM) suggested by Cao's group was utilized in a real chemical reaction in liquids from a classical point of view. From the results of this numerical simulation, dramatic enhancement in speed of calculations and decrease in computational cost are shown by applying TTM method. It is wise to be used in complex systems with lots of degrees, such as the process of protein folding or in treating propagations with mountains of data. For some specific quantities we are interested in, how to find a map from complex systems to simple ones and from huge freedoms to a few ones, such as just to one freedom in this paper, it remains something for us to do in the future.

}, issn = {2079-7346}, doi = {https://doi.org/10.4208/jams.050416.081916a}, url = {http://global-sci.org/intro/article_detail/jams/8144.html} }
TY - JOUR T1 - Non-Markovian Transfer Tensor Method Used in a Chemical Reaction in Liquids AU - Yang , Huan JO - Journal of Atomic and Molecular Sciences VL - 4 SP - 155 EP - 162 PY - 2016 DA - 2016/07 SN - 7 DO - http://doi.org/10.4208/jams.050416.081916a UR - https://global-sci.org/intro/article_detail/jams/8144.html KW - non-Markovian effects, recombination, liquid, numerical simulation. AB -

In this paper, the non-Markovian transfer tensor method (TTM) suggested by Cao's group was utilized in a real chemical reaction in liquids from a classical point of view. From the results of this numerical simulation, dramatic enhancement in speed of calculations and decrease in computational cost are shown by applying TTM method. It is wise to be used in complex systems with lots of degrees, such as the process of protein folding or in treating propagations with mountains of data. For some specific quantities we are interested in, how to find a map from complex systems to simple ones and from huge freedoms to a few ones, such as just to one freedom in this paper, it remains something for us to do in the future.

Yang , Huan. (2016). Non-Markovian Transfer Tensor Method Used in a Chemical Reaction in Liquids. Journal of Atomic and Molecular Sciences. 7 (4). 155-162. doi:10.4208/jams.050416.081916a
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