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I will perform molecular dynamics MD simulations using gromacs, lammps, or cp2k
About this Gig
As a Ph.D. researcher in computational chemistry with over 5 years of hands-on experience, I provide expert-level molecular dynamics simulations. I personally execute every calculation and data analysis step directly. There are absolutely no middlemen, ensuring strict data confidentiality, scientific rigor, and highly efficient communication.
My GROMACS Expertise Includes:
- Biomolecules: Proteins, nanobodies, and complex ligand interactions.
- Polymers & Soft Matter: Chain conformations, aggregation states, and structural evolution.
- Complex Systems: Composite membranes (e.g., cellulose, MXene, carbon nanotubes).
What I Deliver:
- Accurate topology generation (AMBER, OPLS-AA, CHARMM).
- Production MD runs (NPT/NVT).
- In-depth analysis (RMSD, RMSF, RDF, H-bonds, MSD).
- Publication-ready 3D rendering using VMD and PyMOL.
Please message me before placing an order to discuss your specific system!
FAQ
Do you use middlemen or outsource the calculations?
Absolutely not. I am an independent Ph.D. researcher. I personally build the models, submit jobs to high-performance computing (HPC) clusters, and perform all data analyses directly.
What software do you use for MD simulations and visualization?
I primarily use GROMACS, LAMMPS, and CP2K for simulations. For high-quality, publication-ready rendering and analysis, I use VMD, PyMOL, and Multiwfn.
