DFT: Quantum Computing Methods
N.B. Singh
This audiobook is narrated by a digital voice.
"DFT: Quantum Computing Methods" delves into the fusion of Density Functional Theory (DFT) with cutting-edge quantum computing technologies. This book navigates through foundational principles of DFT, revealing how quantum algorithms promise transformative advancements in computational chemistry and materials science. Offering insights accessible to both beginners and seasoned researchers, it explores the potential of quantum computing to revolutionize the simulation and design of molecules and materials, marking a significant leap forward in computational capabilities for scientific discovery and innovation.
Duration - 3h 30m.
Author - N.B. Singh.
Narrator - Digital Voice Mary G.
Published Date - Monday, 20 January 2025.
Copyright - © 2024 N.B. Singh ©.
Location:
United States
Description:
This audiobook is narrated by a digital voice. "DFT: Quantum Computing Methods" delves into the fusion of Density Functional Theory (DFT) with cutting-edge quantum computing technologies. This book navigates through foundational principles of DFT, revealing how quantum algorithms promise transformative advancements in computational chemistry and materials science. Offering insights accessible to both beginners and seasoned researchers, it explores the potential of quantum computing to revolutionize the simulation and design of molecules and materials, marking a significant leap forward in computational capabilities for scientific discovery and innovation. Duration - 3h 30m. Author - N.B. Singh. Narrator - Digital Voice Mary G. Published Date - Monday, 20 January 2025. Copyright - © 2024 N.B. Singh ©.
Language:
English
Preface
Duration:00:00:46
Introduction to Quantum Computing and Density Functional Theory
Duration:00:01:27
Overview of Quantum Computing
Duration:00:03:44
Introduction to Density Functional Theory
Duration:00:03:42
Historical Development
Duration:00:04:16
Key Concepts and Terminology
Duration:00:04:40
Importance in Modern Science
Duration:00:05:39
Fundamentals of Quantum Mechanics
Duration:00:01:29
Principles of Quantum Mechanics
Duration:00:04:05
Wave-Particle Duality
Duration:00:03:14
Quantum States and Operators
Duration:00:03:21
Measurement and Uncertainty
Duration:00:05:28
Quantum Entanglement
Duration:00:03:00
Applications in Quantum Computing
Duration:00:03:17
Density Functional Theory Basics
Duration:00:01:34
Foundational Concepts
Duration:00:03:46
Hohenberg-Kohn Theorems
Duration:00:03:41
Kohn-Sham Equations
Duration:00:03:33
Exchange-Correlation Functionals
Duration:00:03:28
Approximations in DFT
Duration:00:05:36
Practical Implementations
Duration:00:06:24
Quantum Algorithms for DFT
Duration:00:01:40
Quantum Computing Algorithms
Duration:00:06:35
Quantum Simulations for DFT
Duration:00:03:32
Variational Quantum Eigensolver
Duration:00:03:25
Quantum Phase Estimation
Duration:00:03:16
Hybrid Quantum-Classical Algorithms
Duration:00:06:28
Algorithmic Challenges and Solutions
Duration:00:07:10
Applications of DFT in Quantum Chemistry
Duration:00:01:32
Molecular Structure Determination
Duration:00:03:35
Reaction Mechanisms
Duration:00:03:46
Material Properties Prediction
Duration:00:03:51
Catalysis and Surface Chemistry
Duration:00:03:50
Spectroscopy and Excited States
Duration:00:03:25
Case Studies and Practical Examples
Duration:00:05:06
Advancements in Quantum Hardware for DFT
Duration:00:01:32
Current Quantum Computing Hardware
Duration:00:05:27
Superconducting Qubits
Duration:00:04:29
Trapped Ion Qubits
Duration:00:03:53
Quantum Error Correction
Duration:00:04:21
Scalability and Integration
Duration:00:06:27
Future Hardware Innovations
Duration:00:06:20
Future Directions in Quantum DFT Research
Duration:00:01:39
Emerging Trends in Quantum Computing
Duration:00:06:34
Innovations in DFT Methods
Duration:00:06:36
Interdisciplinary Research Opportunities
Duration:00:07:55
Challenges and Open Questions
Duration:00:07:08
Potential Breakthroughs
Duration:00:07:20
Vision for the Future
Duration:00:07:19