Category:Forces: Difference between revisions

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=== Introduction ===
=== Introduction ===
Forces on particles are a fundamental concept in condensed matter physics and chemistry. These forces describe the interactions that cause particles, such as atoms and molecules, to move and behave in specific ways. In VASP forces result from electromagnetic interactions which can be computed from DFT by the use of the [[Hellmann-Feynman forces|Hellmann-Feynman theorem]], the [[ACFDT/RPA calculations|random-phase approximation]] or by the use of [[Machine learning force field: Theory|machine learning force fields]]. Understanding these forces is crucial in many aspects, as for example:
Forces on particles are a fundamental concept in condensed matter physics and chemistry. These forces describe the interactions that cause particles, such as atoms and molecules, to move and behave in specific ways. In VASP forces result from electromagnetic interactions which can be computed from DFT by the use of the [[Hellmann-Feynman forces|Hellmann-Feynman theorem]], the [[ACFDT/RPA calculations|random-phase approximation]] or by the use of [[Machine learning force field: Theory|machine learning force fields]]. Understanding these forces is crucial in many aspects of science, as for example:
* predicting the atomic structure of solids and molecules
* predicting the atomic structure of solids and molecules
* to engineer and design new materials
* to engineer and design new materials
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* predicting and understanding thermodynamic proerties
* predicting and understanding thermodynamic proerties


Formally the force acting on a particle is the rate of change of it's velocity. BY introducing
the particle ve
<math>
\mathbf{v} = \frac{d\mathbf{r}}{dt}
</math>


Formally forces can be obtained in the following way
=== Theory ===
=== Theory ===



Revision as of 10:01, 18 October 2023

Introduction

Forces on particles are a fundamental concept in condensed matter physics and chemistry. These forces describe the interactions that cause particles, such as atoms and molecules, to move and behave in specific ways. In VASP forces result from electromagnetic interactions which can be computed from DFT by the use of the Hellmann-Feynman theorem, the random-phase approximation or by the use of machine learning force fields. Understanding these forces is crucial in many aspects of science, as for example:

  • predicting the atomic structure of solids and molecules
  • to engineer and design new materials
  • predicting and optimizing chemical reactions
  • improving and understanding catalysis
  • predicting and understanding thermodynamic proerties

Formally the force acting on a particle is the rate of change of it's velocity. BY introducing the particle ve

Theory

How To


Contents

Subcategories

This category has only the following subcategory.

Pages in category "Forces"

The following 8 pages are in this category, out of 8 total.