How do you handle the challenges associated with parameterizing force fields for non-standard molecules?

Sample interview questions: How do you handle the challenges associated with parameterizing force fields for non-standard molecules?

Sample answer:

• Employ machine learning (ML) algorithms to automate the parameterization process, reducing the need for manual adjustments.
• Utilize experimental data and high-level quantum mechanical calculations to validate and refine force field parameters for non-standard molecules.
• Develop hybrid force fields that combine empirical and quantum-mechanical approaches to improve accuracy and transferability.
• Collaborate with experimentalists to obtain structural and dynamic information that can aid in parameterization.
• Create custom force … Read full answer

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