How do you assess the reliability of available computational chemistry databases?

Sample interview questions: How do you assess the reliability of available computational chemistry databases?

Sample answer:

Assessment of Computational Chemistry Database Reliability

Evaluation Criteria:

  • Methodological Rigor: Scrutinize the computational methods employed, including accuracy, reliability, and appropriateness for the specific chemical system studied.
  • Data Source: Determine the origin and quality of the experimental or theoretical data used to construct the database.
  • Validation and Benchmarking: Examine whether the database has been subjected to rigorous validation and benchmarking against experimental or reference data to ensure accuracy and reliability.
  • Documentation and Transparency: Verify that the database is well-documented and transparent, providing detailed information on its construction, validation, and intended applications.
  • Relevance and Scope: Assess whether the database covers the chemical species, properties, and applications of interest, considering its intended use.
  • Community Feedback and User Experience: Review user reviews, feedba… Read full answer

    Source: https://hireabo.com/job/5_2_14/Computational%20Chemist

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