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Items: 10

1.

A fast and accurate computational method for the linear-combination-based isotropic periodic sum.

Takahashi KZ, Nozawa T, Yasuoka K.

Sci Rep. 2018 Aug 8;8(1):11880. doi: 10.1038/s41598-018-30364-2.

2.

Critical test of isotropic periodic sum techniques with group-based cut-off schemes.

Nozawa T, Yasuoka K, Takahashi KZ.

Sci Rep. 2018 Mar 8;8(1):4185. doi: 10.1038/s41598-018-22514-3.

3.

Development of Coarse-Grained Liquid-Crystal Polymer Model with Efficient Electrostatic Interaction: Toward Molecular Dynamics Simulations of Electroactive Materials.

Tagashira K, Takahashi KZ, Fukuda JI, Aoyagi T.

Materials (Basel). 2018 Jan 6;11(1). pii: E83. doi: 10.3390/ma11010083.

4.

Onset of static and dynamic universality among molecular models of polymers.

Takahashi KZ, Nishimura R, Yamato N, Yasuoka K, Masubuchi Y.

Sci Rep. 2017 Sep 28;7(1):12379. doi: 10.1038/s41598-017-08501-0.

5.

Molecular Dynamics Simulations for Resolving Scaling Laws of Polyethylene Melts.

Takahashi KZ, Nishimura R, Yasuoka K, Masubuchi Y.

Polymers (Basel). 2017 Jan 12;9(1). pii: E24. doi: 10.3390/polym9010024.

6.

Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system.

Nozawa T, Takahashi KZ, Narumi T, Yasuoka K.

J Comput Chem. 2015 Dec 15;36(32):2406-11. doi: 10.1002/jcc.24222. Epub 2015 Nov 3.

PMID:
26525311
7.

Design of a reaction field using a linear-combination-based isotropic periodic sum method.

Takahashi KZ.

J Comput Chem. 2014 Apr 30;35(11):865-75. doi: 10.1002/jcc.23562. Epub 2014 Feb 19.

PMID:
24615639
8.

An Improved Isotropic Periodic Sum Method That Uses Linear Combinations of Basis Potentials.

Takahashi KZ, Narumi T, Suh D, Yasuoka K.

J Chem Theory Comput. 2012 Nov 13;8(11):4503-16. doi: 10.1021/ct3003805. Epub 2012 Sep 27.

PMID:
26605610
9.

A combination of the tree-code and IPS method to simulate large scale systems by molecular dynamics.

Takahashi KZ, Narumi T, Yasuoka K.

J Chem Phys. 2011 Nov 7;135(17):174108. doi: 10.1063/1.3658640.

PMID:
22070293
10.

Cutoff radius effect of the isotropic periodic sum and Wolf method in liquid-vapor interfaces of water.

Takahashi KZ, Narumi T, Yasuoka K.

J Chem Phys. 2011 May 7;134(17):174112. doi: 10.1063/1.3578473.

PMID:
21548678

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