Yoshiyuki Kawazoe
Articles written in Bulletin of Materials Science
Volume 22 Issue 3 May 1999 pp 735-739 Computer Aided Design Of Materials
In the present paper, all-electron full-potential
Volume 22 Issue 5 August 1999 pp 901-904 India-Japan Seminar On Computational Materials Science, October 1998, Bangalore
Can
In this paper we have presented all-electron full-potential
Volume 26 Issue 1 January 2003 pp 13-17
Realization of prediction of materials properties by
In this paper, several typical examples recently worked out by our research group are introduced to indicate that these methodologies are actually possible to be successfully used to predict materials properties before experiments based on the present day state-of-art supercomputing systems. It includes scientific visualization of the results of
Volume 26 Issue 1 January 2003 pp 115-116
Tina M Briere Marcel H F Sluiter Vijay Kumar Yoshiyuki Kawazoe
The geometries of several Mn clusters in the size range Mn13–Mn23 are studied via the generalized gradient approximation to density functional theory. For the 13- and 19-atom clusters, the icosahedral structures are found to be most stable, while for the 15-atom cluster, the bcc structure is more favoured. The clusters show ferrimagnetic spin configurations.
Volume 46, 2023
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Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020
Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020
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