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Profiles of Division Researchers

This section will introduce the Division Researchers who joined CMSI in October 2014


Swastibarata Bhattacharyya

Materials Science Division Researcher

Department of Physics,
Yokohama National University

I did my masters in physics from Indian
Institute ofTechnology Guwahati. 
I received my PhD in the field  of materialscience
from Indian Institute ofScience,Bangalore. 
At present, I am working on first principles 
mapping onto phase field model atDepartment of Physics, 
Yokohama National University, Japan


Motivation for applying for the position

To learn development of first principles based theory and code that will be used to study materialsproperties.


Phase field methods are very effective in studying the evolution of microstructures in variousmaterials.
We want to bridge this empiricalmethod to the first principles based atomisticmethods.


To learn and contribute to the first-principles allelectronmixed basis program TOMBO.

Sankar Kumar Deb Nath

Sankar Kumar

Deb Nath

Materials Science Division Researcher

Institute for Materials Research, 
Tohoku University


I obtained Ph.D. from thedepartment  ofMechanicalEngineering,Bangladesh
Universityof Engineering and Technology, 
Dhaka, Bangladeshon the mechanicsof compositmaterials.Majored in multi-scale 
modelling in mechanics of solidsand liquids,atomistic simulations of physics
and chemistryrelated problems. 
Currently I am working on the phase 
field modelling of Cu, Al and Cu-Alalloys using molecular dynamics simulation.

Motivation for applying for the position

Dendrite structures are formed during the solidification of pureand alloy  materials due to the anisotropy of the phase change of the solid-liquid interface. 
Detailed investigation of the physical andthermodynamic properties of the solid
liquid interfaceare needed by the atomistic approach likemolecular dynamic 
simulations to study the anisotropy of the solid-liquid  interface during solidificationusing the large scale phase field modelling.



The anisotropy of the solid-liquid interfacial properties of 
Cu, Al and Cu-Al alloys such as kineticcoefficient, melting point, 
interfacial free energy etc. will be determined from the project.


My aim is to investigate the thermodynamic properties of thesolid-liquid interface of Cu, Al and Cu-Al alloys.

Sergi Ruiz-Barragan



Molecular Science

Division Researcher

Japan Atomic Energy Agency


Graduated in Chemistry 
at University of Girona and 
received the Doctorate inthe same university
with a exited states and non-stationary 
processes thesis.Current research with 
path integrals and QM/MMMolecular 
dynamics inShiga's group at JAEA .

Motivation for applying for the position

Develop new methods for studying dynamics. Chemist is not a static
science and I think thatwe need to understand correctly the movementof
atoms and molecules to improve the reactionand obtain greener ways 
to produce some products.


To improve the path integral code for QM/MM and use it for study some 
reactions with thesolvent for understand the temperature and the isotope 
effects in reactions.


Provide a new program for doing molecular dynamics and path integrals at the same time that I improve my conception of the molecular movement.