Computational Science, Scientific Computing, and Machine Learning Workshop 2025
from
Monday, 6 October 2025 (08:00)
to
Friday, 7 November 2025 (19:00)
Monday, 6 October 2025
08:30
Lecture - Introduction to Scientific computing and Linux
Lecture - Introduction to Scientific computing and Linux
08:30 - 10:30
Room: Lab-SF14
Contributions
08:30
Introduction to Scientific computing and Linux
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
10:30
Lunch break
Lunch break
10:30 - 11:10
Room: Lab-SF14
11:10
Handson1 - Introduction to Scientific computing and Linux
Handson1 - Introduction to Scientific computing and Linux
11:10 - 13:00
Room: Lab-SF14
Tuesday, 7 October 2025
08:30
Introduction to Scientific computing and Linux.
Introduction to Scientific computing and Linux.
08:30 - 09:45
Room: Lab-SF14
Contributions
08:30
Command Line tools and File operations
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
09:45
Hands-On for Command Line Tools and file operations
Hands-On for Command Line Tools and file operations
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch Break
Lunch Break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on - Command Line tools and File operations
Hands-on - Command Line tools and File operations
12:30 - 14:00
Room: Lab-SF14
Wednesday, 8 October 2025
08:30
Lecture - Advanced Shell tools: AWK, SED, etc ..
Lecture - Advanced Shell tools: AWK, SED, etc ..
08:30 - 09:45
Room: Lab-SF14
Contributions
08:30
Advanced Shell tools: AWK, SED, etc ..
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
09:45
Hands-On : Advanced Commands
Hands-On : Advanced Commands
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch Break
Lunch Break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-On
Hands-On
12:30 - 14:00
Room: Lab-SF14
Thursday, 9 October 2025
08:30
Lecture - Introduction to Text editing and Shell scripting
Lecture - Introduction to Text editing and Shell scripting
08:30 - 09:45
Room: Lab-SF14
Contributions
08:30
Introduction to Text editing and Shell scripting
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
09:45
Hands-on for Introduction to Text editing and Shell scripting
Hands-on for Introduction to Text editing and Shell scripting
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Introduction to Text editing and Shell scripting
Hands-on for Introduction to Text editing and Shell scripting
12:30 - 14:00
Room: Lab-SF14
Friday, 10 October 2025
08:30
Introduction to plotting with Gnuplot
Introduction to plotting with Gnuplot
08:30 - 09:45
Room: Lab-SF14
Contributions
08:30
Introduction to plotting with Gnuplot
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
09:45
Hands-on for Introduction to plotting with Gnuplot
Hands-on for Introduction to plotting with Gnuplot
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Introduction to plotting with Gnuplot
Hands-on for Introduction to plotting with Gnuplot
12:30 - 14:00
Room: Lab-SF14
Saturday, 11 October 2025
Sunday, 12 October 2025
Monday, 13 October 2025
08:30
Lecture - Introduction to Python Programming
Lecture - Introduction to Python Programming
08:30 - 09:45
Room: Lab-SF14
Contributions
08:30
Introduction to Python Programming
-
Daniella Apeadu
(
Kwame Nkrumah University of Science and Technology, Department of Mathematics
)
Elliot Menkah
(
Chemistry Department
)
09:45
Hands-on for Introduction to Python Programming
Hands-on for Introduction to Python Programming
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Introduction to Python Programming
Hands-on for Introduction to Python Programming
12:30 - 14:00
Room: Lab-SF14
Tuesday, 14 October 2025
08:30
Lecture - Programming Logic, Data Structures, and Functions
Lecture - Programming Logic, Data Structures, and Functions
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Programming Logic, Data Structures, and Functions
Hands-on for Programming Logic, Data Structures, and Functions
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Programming Logic, Data Structures, and Functions
Hands-on for Programming Logic, Data Structures, and Functions
12:30 - 14:00
Room: Lab-SF14
Wednesday, 15 October 2025
08:30
Lecture - Numerical and Scientific Python
Lecture - Numerical and Scientific Python
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Numerical and Scientific Python
Hands-on for Numerical and Scientific Python
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Numerical and Scientific Python
Hands-on for Numerical and Scientific Python
12:30 - 14:00
Room: Lab-SF14
Thursday, 16 October 2025
08:30
Lecture - Machine learning
Lecture - Machine learning
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Machine learning
Hands-on for Machine learning
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Machine learning
Hands-on for Machine learning
12:30 - 14:00
Room: Lab-SF14
Friday, 17 October 2025
08:30
Lecture - Machine learning
Lecture - Machine learning
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Machine learning
Hands-on for Machine learning
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Machine learning
Hands-on for Machine learning
12:30 - 14:00
Room: Lab-SF14
Saturday, 18 October 2025
Sunday, 19 October 2025
Monday, 20 October 2025
08:30
Lecture - Machine learning
Lecture - Machine learning
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Machine learning
Hands-on for Machine learning
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Machine learning
Hands-on for Machine learning
12:30 - 14:00
Room: Lab-SF14
Tuesday, 21 October 2025
08:30
Lecture - Molecular Mechanics
Lecture - Molecular Mechanics
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Molecular Mechanics
Hands-on for Molecular Mechanics
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Molecular Mechanics
Hands-on for Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Wednesday, 22 October 2025
08:30
Lecture - Molecular Mechanics
Lecture - Molecular Mechanics
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Molecular Mechanics
Hands-on for Molecular Mechanics
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Molecular Mechanics
Hands-on for Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Thursday, 23 October 2025
08:30
Lecture - Molecular Mechanics
Lecture - Molecular Mechanics
08:30 - 09:45
Room: Lab-SF14
09:45
Lecture - Molecular Mechanics
Lecture - Molecular Mechanics
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Lecture - Molecular Mechanics
Lecture - Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Friday, 24 October 2025
08:30
Lecture - Materials Research
Lecture - Materials Research
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Materials Research
Hands-on for Materials Research
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Materials Research
Hands-on for Materials Research
12:30 - 14:00
Room: Lab-SF14
Saturday, 25 October 2025
Sunday, 26 October 2025
Monday, 27 October 2025
08:30
Lecture - Materials Research
Lecture - Materials Research
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Materials Research
Hands-on for Materials Research
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Materials Research
Hands-on for Materials Research
12:30 - 14:00
Room: Lab-SF14
Tuesday, 28 October 2025
08:30
Lecture - Materials Research
Lecture - Materials Research
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Materials Research
Hands-on for Materials Research
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Materials Research
Hands-on for Materials Research
12:30 - 14:00
Room: Lab-SF14
Wednesday, 29 October 2025
08:30
Lecture - Molecular Dynamics and Docking
Lecture - Molecular Dynamics and Docking
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Molecular Dynamics and Docking
Hands-on for Molecular Dynamics and Docking
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Molecular Dynamics and Docking
Hands-on for Molecular Dynamics and Docking
12:30 - 13:30
Room: Lab-SF14
Thursday, 30 October 2025
08:30
Lecture - Molecular Dynamics and Docking
Lecture - Molecular Dynamics and Docking
08:30 - 09:45
Room: Lab-SF14
09:45
Hands-on for Molecular Dynamics and Docking
Hands-on for Molecular Dynamics and Docking
09:45 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Hands-on for Molecular Dynamics and Docking
Hands-on for Molecular Dynamics and Docking
12:30 - 13:30
Room: Lab-SF14
Friday, 31 October 2025
08:30
Presentation
Presentation
08:30 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Presentation
Presentation
12:30 - 14:00
Room: Lab-SF14
Saturday, 1 November 2025
Sunday, 2 November 2025
Monday, 3 November 2025
08:30
Project - Machine Learning
Project - Machine Learning
08:30 - 11:45
Room: Lab-SF14
Project - Material Research
Project - Material Research
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Mechanics
Project - Molecular Mechanics
08:30 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Project - Machine Learning
Project - Machine Learning
12:30 - 14:00
Room: Lab-SF14
Project - Material Research
Project - Material Research
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Mechanics
Project - Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Tuesday, 4 November 2025
08:30
Project - Machine Learning
Project - Machine Learning
08:30 - 11:45
Room: Lab-SF14
Project - Material Research
Project - Material Research
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
08:30 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Project - Machine Learning
Project - Machine Learning
12:30 - 14:00
Room: Lab-SF14
Project - Material Research
Project - Material Research
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
12:30 - 14:00
Room: Lab-SF14
Wednesday, 5 November 2025
08:30
Project - Machine Learning
Project - Machine Learning
08:30 - 11:45
Room: Lab-SF14
Project - Material Research
Project - Material Research
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
08:30 - 11:45
Room: Lab-SF14
Project - Molecular Mechanics
Project - Molecular Mechanics
08:30 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Project - Machine Learning
Project - Machine Learning
12:30 - 14:00
Room: Lab-SF14
Project - Material Research
Project - Material Research
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Dynamics and Docking
Project - Molecular Dynamics and Docking
12:30 - 14:00
Room: Lab-SF14
Project - Molecular Mechanics
Project - Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Thursday, 6 November 2025
08:30
Project - Molecular Mechanics
Project - Molecular Mechanics
08:30 - 11:45
Room: Lab-SF14
11:45
Lunch break
Lunch break
11:45 - 12:30
Room: Lab-SF14
12:30
Project - Molecular Mechanics
Project - Molecular Mechanics
12:30 - 14:00
Room: Lab-SF14
Friday, 7 November 2025
08:30
FInal Presentation and Closing Day
FInal Presentation and Closing Day
08:30 - 10:30
Room: Lab-SF14