Details of the available projects

Theoretical/Computational Molecular Science

Project Title: Multireference Wavefunction Study of Ground and Excited States of pi-Conjugated Organic Molecular Materials
Associate Professor: Takeshi YANAI
http://qcl.ims.ac.jp/

Details of the project:

Computing ground and excited states of pi-conjugated organic molecular materials by operating UNIX-workstation computers, on which quantum chemistry calculations are performed.

References:

J. Chem. Phys. 127, 104107 (2007),J. Chem. Phys. 128, 144117 (2008)

Required skills:

Experience of theoretical works on UNIX (or Linux) platform. C++ programming. Python scripting.