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USD 160 /hr

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Hire Sourodip G.

Ireland

USD 160 /hr

GPU Performance Engineer | GROMACS, LAMMPS, CUDA, Molecular Dynamics

Profile Summary

GPU Performance Engineer | Forcite CUDA Porting | GROMACS/LAMMPS Optimization I optimize molecular dynamics simulations on GPU hardware for pharma, biotech, and research teams. EXPERIENCE Dassault Systèmes BIOVIA (CUDA Developer, 2022-2023): Ported Forcite MD engine to CUDA, reducing production runtimes from multi-day to hours. University College Dublin (PhD Researcher, 2023-Present): GPU power scaling models, Performance Monitoring Counter analysis for HPC optimization. EXPERTISE Cluster Setup: GROMACS/LAMMPS installation, CUDA compiler compatibility Performance Diagnostics: Nsight, PAPI, LIKWID analysis MD Optimization: GROMACS, LAMMPS tuning GPU Development: CUDA kernel optimization PUBLICATIONS Journal of Chemical Physics (2025) | IEEE Transactions on Computers (under review) TOOLS C++, Python, CUDA, MPI, OpenMP, Linux HPC Dublin, Ireland. €120/hour.

Subject Matter Expertise

• ★ Computational Chemistry
• ☆ Computer Science
• ☆ Software Engineering
• ☆ Chemical Engineering

Services

• Research

Research Feasibility Study, Technology Scouting, Scientific and Technical Research

Work Experience

Apprentice Software Engineer

Dassault Systèmes (France)

May 2022 - February 2023

Modeling of On Site CO Shift and SNG Reactors using the MILANO Programming Language

Reliance Industries Ltd Jamnagar Manufacturing Division

July 2015 - May 2017

Education

PhD (Computer Science)

University College Dublin

May 2023 - Present

MTech(Research) (Chemical Engineering)

Indian Institute of Science, Bangalore

August 2019 - June 2023

Master in Chemical Engineering (Chemical Engineering)

Jadavpur University

August 2017 - May 2019

Bachelor of Engineering (Chemical Engineering)

Jadavpur University

August 2011 - May 2015

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Sourodip Ghoshdastidar, Diksha Kadre, Shreshtha Dhankar, Sudeep N. Punnathanam (2025). A machine learning assisted identification of optimum set of order parameters for study of gas hydrate nucleation in a molecular simulation . The Journal of Chemical Physics.

Ghoshdastidar S, Sarkar K, Ghoshdastidar B(2021). Merits and Demerits of Selective Isolation of Superspreaders: A Mathematical Modeling Study Based upon West Bengal (India) SARS-COV 2 Data . Indian journal of community medicine : official publication of Indian Association of Preventive & Social Medicine.

Sourodip Ghoshdastidar, Biswajit Debnath, Abhirup Mukherjee, Aditi Mullick, Saibal Ganguly, Kajari Kargupta(2019). Desublimation based separation of CO2 inside a cryogenic packed bed: Performance mapping with the spatiotemporal evolution of CO2 frost . Chemical Engineering Research and Design. 146. p. 166--181. Elsevier {BV}