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MDSimHub
@shuzong
MD DFT Simulation Expert
China
Englisch
Über mich
As a Ph.D. researcher in computational chemistry and materials science with over 5 years of dedicated experience, I provide professional, high-quality molecular simulation services. My expertise spans across both Molecular Dynamics (MD) and Density Functional Theory (DFT).
I am proficient in constructing and analyzing complex systems, ranging from polymers and composite membranes to functionalized metal clusters and MOFs. I utilize industry-standard software including GROMACS, LAMMPS, CP2K, ORCA, VASP, and Gaussian to deliver precise results.
Kompetenzen
MDSimHub
offline •
Durchschnittliche Antwortzeit: 1 Stunde
Meine Dienstleistungen
Programmierung & Technik
I will perform molecular dynamics MD simulations using gromacs, lammps, or cp2k
Datenanalyse-Beratung
I will perform advanced dft calculations using vasp and orca
