MDSimHub

@shuzong

MD DFT Simulation Expert

China

English

About me

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.... Read more

Skills