With this function you can construct your weekly calendar of lessons, which is customized on the basis of the courses that you intend to follow. Warning: the personal schedule does not replace the presentation of the study plan! It's an informal tool that can help you better manage the organization of class attendance before the study plan presentation. After the study plan presentation we recommend you to use the Lecture timetable service in your Online Services.
To create your customized schedule follow these instructions:
- Click on the "Enable" link to proceed. You will be asked your surname and first name in order to determine your alphabetic grouping.
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To add or remove courses from your personal schedule, use the small icons which are found next to the courses:
addition of the course
removal of the course
selection of the section of the Laboratory of Architecture (Note: the effective area in which the teaching will be carried out will be determined after the presentation of the Study Plans)
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The sidebar on the left displays the number of lessons included in schedule.
There are also these commands:
View the schedule: allows the viewing of the weekly synoptic schedule
Delete the schedule: cancels the selections made
When you have finished the entry, you can print the calendar you have made.
Semester (Sem) | 1 | First Semester | 2 | Second Semester | A | Annual course | Educational activities | B | Identifying activities | Language |  | Course completely offered in italian |  | Course completely offered in english | -- | Not available | Innovative teaching |  | The credits shown next to this symbol indicate the part of the course CFUs provided with Innovative teaching. These CFUs include:
- Subject taught jointly with companies or organizations
- Blended Learning & Flipped Classroom
- Massive Open Online Courses (MOOC)
- Soft Skills
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Academic Year
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2020/2021
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School
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School of Industrial and Information Engineering
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Name
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(Bachelor of Science degree)(ord. 270) - MI (347) Chemical Engineering
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Track
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N1L - Ingegneria Chimica
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Programme Year
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3
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ID Code
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055583
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Course Title
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COMPUTATIONAL TECHNIQUES FOR MOLECULAR MODELING
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Course Type
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Integrated Course
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Credits (CFU / ECTS)
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10.0
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Semester
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Second Semester
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Course Description
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MOLECULAR MODELING IN PROCESS ENGINEERING
Thermodynamics: advanced methods for the solution of the Schrodinger equation; determination of the molecular structure of molecules; estimation of thermodynamic parameters in the gas phase and in solution. Kinetics: determination of transition state structures; estimation of rate constants for reactions in the gas phase, in solution and on surfaces; master equation and pressure dependence of rate constants. Transport: molecular dynamics simulations; estimation of transport parameters of molecules in solution.
NUMERICAL METHODS FOR MOLECULAR SIMULATION
Boundary value problems for partial differential equations: discretization, linearization and algebraic resolution: Eigenvalue problems for differential operators. Coupled systems of differential equations. Optimization and parameter estimation. Integration of systems of ordinary differential equations. Poisson-Boltzmann, Poisson-Fermi and Schroedinger-Poisson systems. Charged particle transport in fluids, Langevin equation, Poisson-Nernst-Plank System.
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Scientific-Disciplinary Sector (SSD)
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Educational activities
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SSD Code
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SSD Description
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CFU
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B
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ING-IND/24
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FUNDAMENTALS OF CHEMICAL ENGINEERING
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5.0
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--
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MAT/08
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NUMERICAL ANALYSIS
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5.0
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Innovative teaching
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The course includes 5.0 credits in Innovative Teaching as follows:
- Blended Learning & Flipped Classroom
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