Jozica Dolenc: Catalogue data in Autumn Semester 2022

Name	Dr. Jozica Dolenc
Address	Inf.zentrum Chemie Biologie Phar. ETH Zürich, HCI J 57.4 Vladimir-Prelog-Weg 1-5/10 8093 Zürich SWITZERLAND
Telephone	+41 44 632 29 48
E-mail	dolenc@chem.ethz.ch
Department	Chemistry and Applied Biosciences
Relationship	Lecturer

Number	Title	ECTS	Hours	Lecturers
511-0007-00L	Scientific Writing and Presenting Only for Pharmaceutical Sciences MSc.	2 credits	2G	J. A. Hiss, A. Burden, J. Dolenc, J.‑C. Leroux, O. Renn, C. Steuer
Abstract	This introductory class provides an overview of the basic scientific writing techniques and a guideline to presenting scientific data, together with guided exercises and hands-on training. It is devised to accompany the research projects within the curriculum of the MSc in Pharmaceutical Sciences.
Learning objective	The class enables the participants to prepare their own scientific texts and oral presentations, and critically assess the quality of the presentation of scientific data.
Content	The participants receive an introduction to basic formal aspects of scientific writing and the design of graphical elements. Lectures and topical seminars alternate with practical task for the participants, which will be evaluated in a peer-to-peer setting. Performance feedback is provided by both the teachers and the peers.
529-0004-01L	Classical Simulation of (Bio)Molecular Systems	6 credits	4G	P. H. Hünenberger, J. Dolenc, S. Riniker
Abstract	Molecular models, classical force fields, configuration sampling, molecular dynamics simulation, boundary conditions, electrostatic interactions, analysis of trajectories, free-energy calculations, structure refinement, applications in chemistry and biology. Exercises: hands-on computer exercises for learning progressively how to perform an analyze classical simulations (using the package GROMOS).
Learning objective	Introduction to classical (atomistic) computer simulation of (bio)molecular systems, development of skills to carry out and interpret these simulations.
Content	Molecular models, classical force fields, configuration sampling, molecular dynamics simulation, boundary conditions, electrostatic interactions, analysis of trajectories, free-energy calculations, structure refinement, applications in chemistry and biology. Exercises: hands-on computer exercises for learning progressively how to perform an analyze classical simulations (using the package GROMOS).
Lecture notes	The powerpoint slides of the lectures will be made available weekly on the website in pdf format (on the day preceding each lecture).
Literature	See: www.csms.ethz.ch/education/CSBMS
Prerequisites / Notice	Since the exercises on the computer do convey and test essentially different skills than those being conveyed during the lectures and tested at the oral exam, the results of the exercises are taken into account when evaluating the results of the exam (learning component, possible bonus of up to 0.25 points on the exam mark). For more information about the lecture: www.csms.ethz.ch/education/CSBMS
529-0549-01L	Case Studies in Process Design I	3 credits	3A	G. Guillén Gosálbez, J. Dolenc, U. Fischer
Abstract	The focus of part I of the case study course lies on the literature-based comparison of chemical process alternatives. Based on this compilation and selected quantitative as well as qualitative measures, a process assessment and comparison is conducted. A basic flowsheet is then generated, and mass and energy balances are performed to carry out a preliminary economic and environmental assessment.
Learning objective	- to obtain knowledge about different databases and sources of information - application of the knowledge obtained in lectures to a real problem - problem-oriented problem solving (application of different methods to the same subject) - team work - report writing and presentation techniques
Content	The focus of part I of the case study course lies on the literature-based comparison of chemical process alternatives. For this purpose, relevant substance data (i.e. physico-chemical, toxicological, safety, and environmental data), as well as information about synthesis routes and technical implementations (i.e. on reaction kinetics; possible separation operations; economic, safety, and environmental aspects), are collected from the literature. Based on this compilation and selected quantitative as well as qualitative measures, a process assessment and comparison is conducted and the most promising process alternative is chosen for further evaluation. For this alternative, a basic flowsheet and mass and energy balances are generated.