Sample interview questions: Can you describe your experience with computational methods for quantum chemistry?
Sample answer:
As a computational physicist specializing in quantum chemistry, I possess extensive experience in employing computational methods to address complex problems in the field. My expertise encompasses a wide range of techniques, including:
- Hartree-Fock (HF) Theory: Developed a robust HF code utilizing Slater-type orbitals to calculate molecular electronic structures and properties.
- Density Functional Theory (DFT): Implemented various DFT functionals, such as local density approximation (LDA), generalized gradient approximation (GGA), and hybrid functionals, to investigate electronic correlations and reactivity.
- Quantum Monte Carlo (QMC): Utilized advanced QMC algorithms, including variational and diffusion Monte Carlo, to obtain highly accurate ground-state energies and wavefunctions for small and medium-sized molecular systems.
- Molecular Dynamics (MD): Developed classical and quantum MD simulation methods to study the dynamics of chemical reactions and explore the behavior of molecules in complex environments.
- Machine Learning (ML) for Quantum Chemistry: Explored the application of ML techniques, such as neural networks and Gaussian process regression, to predict molecular properties and accelerate computational processes.
Throughout my research, I have successfully utilized these computational methods to:
- Predict… Read full answer
Source: https://hireabo.com/job/5_0_13/Computational%20Physicist