Dr. Amitabha Das
Sapporo,Japan
Summary
Dr. Amitabha Das is a Postdoctoral Fellow with Prof. Satoshi Maeda's Research Group at the Institute for Chemical Reaction Design and Discovery (ICReDD), Hokkaido University, Japan.
His research focuses on the computational and machine learning-based mechanistic investigation of chemical reactions and design of molecules and materials, investigation their structure-activity relationships and physical properties, with a particular focus on applications in energy conversion and storage.
Overview
1
1
year of professional experience
6
6
years of post-secondary education
Work history
Postdoctoral Fellow
ICReDD, Hokkaido University
Sapporo, Japan
09.2025 - Current
Development of optimized methods for molecular modification using a general-purpose virtual molecular model
Postdoctoral Fellow
Indian Institute of Technology Indore
Indore, India
08.2024 - 08.2025
Developing Machine Learning and Deep Learning methods for high-throughput screening of electrode materials and catalytic systems for energy conversion and storage applications, and supervising PhD students within the group.
Education
Doctor of Philosophy - Computational Chemistry and Machine Learning
Indian Institute of Technology Indore
Indore 07.2019 - 08.2025
Master of Science - Chemistry
Tripura Central University
Agartala /2016 - /2018
Skills
Methods: DFT, ML, AIMD and AFIR
Experiences in computational chemistry packages: Gaussian, VASP, ORCA, GPAW and CP2K
Experiences in different computational tools: TD-DFT, NBO, NEB, DIMER, DOS, Packmol, VMD, Multiwfn and IMoS
Machine Language: Python and Linux
Timeline
Postdoctoral Fellow
ICReDD, Hokkaido University
09.2025 - Current
Postdoctoral Fellow
Indian Institute of Technology Indore
08.2024 - 08.2025
Doctor of Philosophy - Computational Chemistry and Machine Learning
Indian Institute of Technology Indore
07.2019 - 08.2025
Master of Science - Chemistry
Tripura Central University
/2016 - /2018