Sample interview questions: Can you explain any experience you have with computational quantum chemistry or molecular dynamics simulations?
Sample answer:
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Computational Quantum Chemistry:
- Developed and applied quantum chemical methods to investigate the electronic structure, properties, and reactivity of molecules and materials.
- Expertise in Hartree-Fock (HF) theory, density functional theory (DFT), and post-Hartree-Fock methods (e.g., Møller-Plesset perturbation theory, coupled-cluster theory).
- Experience in using various quantum chemistry software packages, including Gaussian, GAMESS, NWChem, and ORCA.
- Investigated a wide range of chemical systems, including organic molecules, inorganic compounds, and biological systems.
- Collaborated with experimentalists to interpret experimental data and design new experiments.
- Published research articles in peer-reviewed journals and presented findings at conferences.
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Molecular Dynamics Simulations:
- Performed molecular dynamics simulations to study the dynamics and properties of molecules and materials.
- Expertise in classical molecular dynamics (MD), accelerated MD methods, and enhanced sampling techniques.
- Experience in using… Read full answer