计算化学研究员
Tasks
- Apply new methods to projects
- Automate data analysis pipelines
- Build predictive models with machine learning
- Collaborate with cross-functional teams
- Conduct GPCR target simulations
- Design small molecules
- Develop high throughput computational workflows
- Model and optimize computational simulations
- Perform protein ligand binding studies
- Predict reaction activity and selectivity
- Study chemical reaction mechanisms
- Track advances in computational chemistry
Perks/Benefits
- N/A
Skills/Tech-stack
Amber | Automation | Cp2k | Data Analysis | Density Functional Theory | Free energy | Free energy perturbation | GROMACS | Gaussian | Ligand docking | Linux | MM PBSA | Machine Learning | Molecular Dynamics | Molecular Modeling | OpenMM | Orca | Protein Ligand | Protein-ligand docking | PyTorch | Python | QM/MM | Scikit-learn | TensorFlow | Thermodynamic integration | XTB
Education
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