Practice First-Principles Calculations and Density Functional Theory (DFT) - 9.4 | Chapter 9: Computational Nanotechnology and Modeling | Nanotechnology Basic
K12 Students

Academics

AI-Powered learning for Grades 8–12, aligned with major Indian and international curricula.

Academics

Grades

Grade 8 Grade 9 Grade 10 Grade 11 Grade 12

Curriculum

CBSE ICSE IB
Professionals

Professional Courses

Industry-relevant training in Business, Technology, and Design to help professionals and graduates upskill for real-world careers.

Professional Courses
Games

Interactive Games

Fun, engaging games to boost memory, math fluency, typing speed, and English skills—perfect for learners of all ages.

games
Typing
Memory
Math
English Adventures
Knowledge

9.4 - First-Principles Calculations and Density Functional Theory (DFT)

Enroll to start learning

You’ve not yet enrolled in this course. Please enroll for free to listen to audio lessons, classroom podcasts and take mock test.

Learning

Practice Questions

Test your understanding with targeted questions related to the topic.

Question 1

Easy

Define first-principles calculations.

💡 Hint: Think about what underlies all scientific calculations.

Question 2

Easy

What does DFT stand for?

💡 Hint: This acronym relates to a key computational method in quantum mechanics.

Practice 4 more questions and get performance evaluation

Interactive Quizzes

Engage in quick quizzes to reinforce what you've learned and check your comprehension.

Question 1

What does DFT primarily use to solve electronic structure problems?

  • Wavefunctions
  • Empirical parameters
  • Electron density

💡 Hint: Think about what replaces wavefunctions in DFT.

Question 2

True or False: DFT can only be used for large systems due to its high accuracy.

  • True
  • False

💡 Hint: Consider the computational resources needed for larger systems.

Solve 1 more question and get performance evaluation

Challenge Problems

Push your limits with challenges.

Question 1

Consider a nanomaterial system with significant electronic interactions. Propose how you could use DFT to predict its electronic properties and discuss potential challenges in your approach.

💡 Hint: What outcomes do you expect from the electronic interactions you studied?

Question 2

Analyze two specific scenarios where DFT performs excellently and where it struggles. Provide reasons behind each outcome.

💡 Hint: Think back to the strengths and limitations discussed in our session.

Challenge and get performance evaluation