Introduction to Molecular Mechanics and Quantum Mechanics

What are the two major approaches in computational chemistry?

• Molecular Mechanics (MM)

• Quantum Mechanics (QM)

• Both MM and QM

• None of the above

What does Molecular Mechanics (MM) use to model molecular structures?

• Quantum physics

• Classical physics

• Statistical mechanics

• Thermodynamics

What is the key equation used in Molecular Dynamics (MD)?

• F = ma

• E = mc^2

• PV = nRT

• E = hf

What are the advantages of Molecular Mechanics?

• Fast & computationally efficient

• Works well for large biomolecules

• Useful for molecular dynamics simulations

• All of the above

What is a limitation of Molecular Mechanics?

• Cannot describe bond breaking/forming

• Assumes fixed atomic charges

• Less accurate for reactions

• All of the above

What does Quantum Mechanics (QM) describe molecular systems using?

• Newton's laws

• Schrödinger Equation

• Molecular dynamics

• Classical mechanics

What are common QM approaches?

• Ab initio methods

• Semi-empirical methods

• Hybrid methods

• All of the above

What is the main challenge of Molecular Dynamics?

• Computational cost

• Force field accuracy

• Cannot simulate quantum effects

• All of the above

What does Hybrid QM/MM methods combine?

• Speed of MM and accuracy of QM

• Speed of QM and accuracy of MM

• Both MM and QM

• None of the above

What is a key takeaway regarding MM and QM?

• MM is fast but lacks electronic accuracy

• QM is accurate but computationally expensive

• MD simulates dynamic molecular behavior

• All of the above