Density Functional Theory Calculations -
-30% with code BOOKS
Shipping in 17-23 days
30-day return policy
This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT¿s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching ... Full description
You May Also Like
TOP
Determined: The Science of Life Without Free Will
-30% with code BOOKS
In stock at our supplier
TOP
The Light Eaters: How the Unseen World of Plant Intelligence Offers a New Understanding of Life on Earth
-30% with code BOOKS
In stock at our supplier
TOP
Why We Sleep: Unlocking the Power of Sleep and Dreams
-30% with code BOOKS
In stock
TOP
The Rise and Fall of the Dinosaurs: A New History of a Lost World
-30% with code BOOKS
In stock at our supplier
TOP
Biology: A Global Approach, Global Edition
Neil Campbell, Rebecca Orr, Lisa Urry, Peter Minorsky, Michael Cain, Jane Reece, Steven Wasserman
-30% with code BOOKS
In stock at our supplier
TOP
Six Not-so-easy Pieces: Einstein's Relativity, Symmetry, and Space-Time
Richard P. Feynman, Robert B. Leighton, Matthew Sands
-30% with code BOOKS
In stock at our supplier
TOP
Explaining AuDHD: The expert-led guide to Autism and ADHD Co-concurrence
-30% with code BOOKS
In stock at our supplier
TOP
The Age of Alchemy: How Early Innovators Shaped Modern Chemistry
-30% with code BOOKS
In stock at our supplier
TOP
The Secrets of our DNA: How Genetics has Changed the World
-30% with code BOOKS
In stock at our supplier
TOP
How to Solve it: A New Aspect of Mathematical Method
-30% with code BOOKS
In stock at our supplier
TOP
Factfulness: Ten Reasons We're Wrong About the World--and Why Things Are Better Than You Think
Ola Rosling, Anna Rosling Rönnlund, Hans Rosling
-30% with code BOOKS
In stock at our supplier
TOP
Why Machines Learn: The Elegant Maths Behind Modern AI
-30% with code BOOKS
In stock at our supplier
TOP
The Feynman Lectures on Physics. The New Millennium Edition
Matthew Sands, Robert Leighton, Richard Feynman
-30% with code BOOKS
In stock at our supplier
TOP
Seven Brief Lessons on Physics
-30% with code BOOKS
In stock at our supplier
TOP
Entangled Life: How Fungi Make Our Worlds, Change Our Minds and Shape Our Futures
-30% with code BOOKS
In stock at our supplier
TOP
Life As No One Knows It: The Physics of Life's Emergence
-30% with code BOOKS
In stock at our supplier
TOP
The Rise and Reign of the Mammals: A New History, from the Shadow of the Dinosaurs to Us
-30% with code BOOKS
In stock at our supplier
TOP
Learn Faster, Perform Better: A Musician's Guide to the Neuroscience of Practicing
-30% with code BOOKS
In stock at our supplier
TOP
Janeway's Immunobiology
Leslie J. Berg, Kenneth Murphy, Casey Weaver
-30% with code BOOKS
In stock at our supplier
Description
This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of the last few years. Since 2000, the DFT has grown exponentially in several computational areas because of its versatility and reliability to calculate energy from electronic density. The fast DFT¿s calculations show how scientists develop more codes focused to simulate molecular and material properties reaching better conclusions than with previous theories. More powerful computers and lower computational costs have certainly assisted the increased growth of interest in this theory. Each chapter presents a specific subject contributing to a vision of the great potential of the quantum/DFT simulations in high pressure, chemical reactivity, ionic liquid, chemoinformatic, molecular docking, and non-equilibrium state.
More Information
| Publisher | IntechOpen |
|---|---|
| Release year | 2021 |
| Cover type | Hardcover |
| EAN | 9781838810825 |