S. A. M. Shamimul Ahsan

About

Experience in Computational chemistry and Experimental chemistry. Gained experience in computational chemistry during Ph.D work where I have used extensively Classical Molecular Dynamics Simulation using DLpoly, LAMMPS software packages and Ab initio Molecular Dynamics Simulation using CP2K packages. I have gained experience in different spectroscopic techniques like X-ray Fluorescence Spectroscopy, inductively coupled plasma (ICP) optical emission spectroscopy, Flame Atomic Absorption spectroscopy, UV-Vis Spectroscopy as I am working as scientist to analysis different kind of geological material.

Employment

• Atomic Minerals Directorate for Exploration and Research Scientific Officer- E
  2010 - Present

Education

• Indian Institute of Science Bangalore Doctorate of Philosophy
  2014 - 2026

Projects & Funding

Projects & funding information is unavailable.

Publications (5)

• Effect of Uranyl Ion on Orientation, Dynamics and Hydrogen Bond Dynamics of Nitrate Ion in Aqueous Uranyl Nitrate Solution
  The Journal of Physical Chemistry B 2026 DOI: 10.1021/acs.jpcb.6c03217
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• An Intermolecular Potential for Accurate Description of the Properties of 12-Ring Siliceous Zeolites
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c00174
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• Hydrogen Bond Dynamics in Siliceous and Aluminated Faujasite: Comparison with Bulk Water
  The Journal of Physical Chemistry C 2024 DOI: 10.1021/acs.jpcc.3c08515
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• Mutual Diffusivity of an n-Hexane-2,2-Dimethyl Butane Binary Mixture Confined to Zeolite Y
  The Journal of Physical Chemistry B 2020 DOI: 10.1021/acs.jpcb.0c05628
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• Shared hydrogen bonds: water in aluminated faujasite
  Physical Chemistry Chemical Physics 2020 DOI: 10.1039/C9CP04972J
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