All NewsComputer applications in physical chemistry
Contents
- Standard algorithms of numerical mathematics
- Translation into computer programs
- Application examples for selected problems in physical and theoretical chemistry.
Course material
| Chapter 0: | General introduction | |
| Fortran introduction | Exercise 0 | |
| Example programs | ||
| Chapter 1: | Numerical integration | Exercise 1 |
| Chapter 2: | Random numbers | Exercise 2 |
| Chapter 3: | Differential equations (part 1) | Exercise 3 |
| Chapter 4: | Differential equations (part 2) | Exercise 4 |
| Chapter 5: | Systems of linear equations | Exercise 5 |
| Chapter 6: | Modeling of data | Exercise 6 |
| Chapter 7: | Matrix eigenvalue problem | Exercise 7 |
| Chapter 8: | Root finding and optimization | Exercise 8 |