Most important
Рождественские лекции 2018


	

Lecture course “Basics of atomistic modeling of solids at finite temperatures” for PhD and Master students

Lecture course “Basics of atomistic modeling of solids at finite temperatures”

for PhD and Master students

Presenter: P. A. Korzhavyi, KTH – Royal Institute of Technology, Stockholm

 

 

Lecture 1 “From electronic structure to molecular dynamics”

 

Lecture plan:

1. Introduction: Interatomic forces

2. Main part: Model interatomic potentials

2.1 Long-range electrostatic interactions

2.2 Pair potentials, their advantages and drawbacks

2.3 Many-body potentials for metals and non-metals

2.4 Modeling without potentials

3. Conclusions

 

 

Lecture 2 “Exploring configurational degrees of freedom in inorganic materials”

 

План лекции:

1. Introduction

2. Main part: Configurational disorder in metal oxide-hydroxides

2.1 Proton disorder and ordering in CuOH

2.2 Comparison of vacated and protonated models of g-Al2O3

3. Conclusions

Возврат к списку

Our projects
Last comments



Яндекс.Метрика