I will perform dft calculations and transition state analysis

Quantum Mechani

China

I speak Chinese, English

DFT and MD calculations

Hello, I'm Zack, a PhD from ShanDong University in China. I provide high-efficiency DFT, MD simulations, and specialized data analysis. Powered by a dedicated 512-core workstation, I ensure rapid turn...
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About this Gig

Expert-level quantum chemical modeling and synchrotron data analysis for materials science and chemistry. I specialize in DFT calculations (Gaussian/VASP), molecular dynamics (LAMMPS), and high-resolution ChemDraw/3D illustrations. Get reliable mechanistic insights, accurate energy barriers, and comprehensive methodology reports tailored for high-impact journals.

Transform your raw experimental data into compelling scientific stories. I offer advanced synchrotron data processing (XAFS/EXAFS fitting) and computational validation (DFT/MD) to bridge the gap between theory and experiment. Expect precise coordination analysis and publication-quality plotting.

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perform dft calculations and transition state analysis
perform dft calculations and transition state analysis
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Technology:

MATLAB

Analysis type:

Quantitative analysis

•

Qualitative analysis

Expertise:

Statistics

Programming language:

Python

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