CV

Education

• 2020 – 2025: Doctorate in engineering, CAU Kiel. (Dr.-Ing.)
• 2016 – 2019: M.Sc. in Computer Aided Mechanical Engineering, RWTH Aachen.
• 2009 – 2013: B.Tech. in Mechanical Engineering, Nit Durgapur.

Short CV

• 2025 – Now: Research data management in DAPHNE
  • Organization: Hemlholtz Zentrum Hereon
  • Location: Munich, Germany
  • Responibility: Ensure Findable Accessable Interpolable Reusable (FAIR) data
    • Development of ontology for Photon and Neutron Experimental Techniques (PaNET)
    • Development of reproducible research workflow using showyourwork.
• 2020 – 2025: PhD candidate (Dr.-Ing from physics department)
  • Organization: Hemlholtz Zentrum Hereon
  • Location: Munich, Germany
  • Thesis title: Investigation of the loading and unloading process in a hydrogen storage material based on the complementary use of simulations and neutron scattering measurements
    • Simulation of chemical hydrogen storage and its validation with measured in situ SANS measurement.
    • Development of novel computational methods and software (e.g. Sassena, Cont2Sas).
    • Took part in different experiments like neutron powder diffraction and X-ray diffraction, with colleagues.
• 2016 – 2019: MSc in Computer Aided Mechanical Engineering
  • Organization: RWTH, Aachen
  • Location: Aachen, Germany
  • Master Thesis: A continuum shell formulation for anisotropic graphene structures and its comparison to Molecular Dynamics results
  • Mini Thesis: Identification of failure model parameters using data analysis method for Selective Laser Melting (SLM) process
  • Related subjects - Molecular Dynamics, Continuum Mechanics
• 2013 – 2016: Manager in vehicle testing
  • Organization: Daimler India Commercial Vehicles
  • Location: Chennai, India
  • Responsibility: Durability testing of trucks
    • Testing of newly designed vehicles before market release
    • Manage the team of technicians in the workshop
    • Contact person in India for testing in international sites (Country: Germany)
• 2009 – 2013: BTech in mechanical engineering
  • Organization: National Institute of Technology, Durgapur
  • Location: Durgapur, India
  • Thesis title: Addition of power given by two drivers sitting in a tricycle
  • Important subjects: Solid mechanics, fluid mechanics, machine design, manufacturing

Other research experience

• 2018 – 2019: Research assistant
  • Organization: Fraunhofer, IPT
  • Location: Aachen, Germany
  • Project: Development of data driven solver and determination of thermal contact conductance using multiscale method
• 2018 – 2019: Research assistant
  • Organization: IWM, RWTH, Aachen
  • Location: Aachen, Germany
  • Project: Process modelling and modelling of microstructure evolution using phase field modelling for Field Assisted Sintering Technique (FAST)
• 2017 – 2018: Research assistant
  • Organization: Continuum Mechanics, RWTH, Aachen
  • Location: Aachen, Germany
  • Project: Material modelling of non-woven materials based on fibre undulations and reorientation

Awards and achievements

• 2026: 2nd position - Poster prize at Daphne Annual Meeting 2026
  • Awarding Institution: DAPHNE4NFDI
  • Location: Karlsruhe Institute of Technology, Germany
• 2023: 3rd position - Data challenge
  • Awarding Institution: HIDA AI/ML workshop
  • Location: Online
• 2015: Achiever of the month (twice)
  • Awarding Institution: Daimler India Commercial Vehicles Pvt. Ltd.
  • Location: Chennai

Software repositories

• Sassena
  • URL: GitLab repository
• Cont2SAS
  • URL: GitLab repository

Skills

• Programming skills
  • C++
  • Python
  • Fortran
  • Linux
• Simulation Software
  • LAMMPS
  • GROMACS
  • MOOSE
  • Abaqus
  • Ansys
• Languages
  • English (C1)
  • Deutsch (B1)
  • Hindi (C1)
  • Bengali (Mother tounge)

Publications

Investigation of the loading and unloading process in a hydrogen storage material based on the complementary use of simulations and neutron scattering measurements

Majumdar, A. "Investigation of the loading and unloading process in a hydrogen storage material based on the complementary use of simulations and neutron scattering measurements." CAU Kiel. https://nbn-resolving.org/urn:nbn:​de:gbv:8:3-2026-00229-3

Computation of X-ray and Neutron Scattering Patterns to Benchmark Atomistic Simulations Against Experiments

Majumdar, A., Müller, M., & Busch, S. (2024). "Computation of X-ray and Neutron Scattering Patterns to Benchmark Atomistic Simulations against Experiments." International Journal of Molecular Sciences. 25(3), 1547. https://doi.org/10.3390/ijms25031547

Comparison of molecular dynamics simulations of water with neutron and X-ray scattering experiments

Reich, V., Majumdar, A., Müller, M., & Busch, S. (2010). "Comparison of molecular dynamics simulations of water with neutron and X-ray scattering experiments ." EPJ Web of Conferences. volume: 272, article number: 01015. https://doi.org/10.1051/epjconf/202227201015

Talks and Posters

Workflow for creating a reproducible research article using showyourwork

March 24, 2026

Poster at DAPHNE Annual Meeting 2026, Karlsruhe, Germany

An ontology for Photon and Neutron Experimental Techniques (PaNET)

July 10, 2025

Poster at International Conference on Neutron Scattering (ICNS), Copenhagen, Denmark

Nanoscopic bubble formation during desorption from hydrogen storage material: Insights from Small Angle Neutron Scattering and computer simulations

July 07, 2025

Poster at International Conference on Neutron Scattering (ICNS), Copenhagen, Denmark

An ontology for Photon and Neutron Experimental Techniques (PaNET)

March 24, 2025

Poster at DAPHNE4NFDI Annual Meeting 2025, Berlin, Germany

Nanoscopic Bubble Formation during Hydrogen Desorption: Insight from Simulations and Neutron Scattering at the Nanometer Scale and its Impact on Hydrogen Storage Performance

March 18, 2025

Talk at Deutsche Physikalische Gesellschaft (DPG), Regensburg, Germany

Continuum simulation of hydrogen storage with complex hydride at nanometer length scale using Small Angle Neutron Scattering (SANS) measurements to estimate volumetry measurement at engineering length scale

February 13, 2025

Talk at 1st Conference on Hydrogen in Materials Science and Engineering, Online

Nanometer-scale analysis of hydrogen storage in complex hydrides using small angle neutron scattering and simulations

February 12, 2025

Talk at 11th International Conference on Advanced Materials and Nanotechnology (AMN11), Christchurch, New Zealand

Novel method for studying hydrogen storage process in the nanometer length scale using count rate of neutrons scattered at a small angle and probabilistic structure generation

December 05, 2024

Talk at MLZ user meeting, Munich, Germany

In situ simulation of a hydrogen storage material on the nanometer level driven by SANS measurements to explain the performance at engineering scale

September 17, 2024

Poster at Deutsche Neutronstreutagung 2024, Aachen, Germany

Investigation of a hydrogen storage process using in situ SANS measurements and simulations

June 06, 2024

Talk at Neutrons for energy, Munich, Germany

Calculation of the detector signal in an in situ SANS measurement from the simulation of metal hydrides as hydrogen storage materials

June 05, 2024

Poster at MLZ conference: Neutrons for Energy Storage, Munich, Germany

Small Angle Neutron Scattering data driven simulation of chemical diffusion of hydrogen in metal hydrides

December 04, 2023

Talk at MLZ user meeting, Munich, Germany

Sassena - tool for computation of scattering pattern from MD simulation

November 06, 2023

Poster at Machine Learning Interatomic Potentials: Theory and Practice, Helsinki, Finland

Evaluating scattering data of the micro and nano scale by computer simulations with a focus on hydrogen storage materials

July 03, 2023

Talk at Neutrons for science and industry, Munich, Germany

Sassena – a tool for validation of Molecular Dynamics simulations with neutron and X-Ray scattering experiments

June 21, 2023

Talk at 5th internal biannual science meeting of the MLZ, Grainau, Germany

Simulation at molecular and mesoscopic level and its validation through X-ray and neutron scattering

May 30, 2023

Talk at Gesellschaft für Angewandete Mathematik und Mechanik e.V. (GAMM), Dresden, Germany

Simulation at molecular and mesoscopic level and its validation through X-ray and neutron scattering

April 15, 2023

Poster at SIMPLAIX, Heidelberg, Germany

Validation of continuum simulations of materials at the mesoscopic level with X-ray and neutron diffraction with a focus on hydrogen storage materials

March 29, 2023

Talk at Deutsche Physikalische Gesellschaft (DPG), Dresden, Germany

Computation of the X-ray and neutron diffraction patterns of mesoscopic continuum simulations

March 21, 2023

Poster at European Conference on Neutron Scattering 2023, Garching b. München

Development of a workflow to calculate the X-ray and neutron diffraction pattern from continuum simulations of macroscopic structures

December 08, 2022

Talk at MLZ user meeting, Munich, Germany

Calculation of neutron and X-ray scattering data from molecular dynamics simulations through optimal use of computation resources

September 05, 2022

Poster at SNI, Berlin, Germany

Calculation of neutron and X-Ray scattering data from Molecular Dynamics simulations through optimal use of computation resources

December 07, 2021

Talk at MLZ user meeting, online

Conversion of Molecular Dynamics (MD) simulations to Neutronand X-Ray Scattering Data using High Performance Computing

September 15, 2021

Poster at Deutsche Physikalische Gesellschaft (DPG), online

Hybrid High Performance Computing to convert the Molecular Dynamics simulation to neutron and X-ray data

May 17, 2021

Poster at QENS/WINS, online

Hybrid High Performance Computing to convert the Molecular Dynamics simulation to neutron and X-ray data

December 09, 2020

Poster at MLZ user meeting, online

Teaching

Multiscale Modelling