This one-quarter course provides hands-on practical training in scientific computing with a focus on applications to molecular engineering. The course provides: (i) training in core programming concepts, including a broad introduction to Python programming and use of key scientific libraries, (ii) advanced programming topics in CPU and GPU parallel programming and quantum computing, exploring their use through practical examples. Hands-on immersive praxis, mostly using electronic notebooks, will introduce students to the efficient use of several computational resources such as pre-exascale and quantum computers.
Instructor: Marco Govoni
Code: MENG-25610/35610
Room: KPTC 101, University of Chicago
Class: Spring 2022, TTh 5-6:20pm (US central)
Teaching assistant: Baiyang Dai
This one-quarter course provides hands-on practical training in scientific computing with a focus on applications to molecular engineering. The course provides: (i) training in core programming concepts, including a broad introduction to Python programming and use of key scientific libraries, (ii) advanced programming topics in CPU and GPU parallel programming and quantum computing, exploring their use through practical examples. Hands-on immersive praxis, mostly using electronic notebooks, will introduce students to the efficient use of several computational resources such as pre-exascale and quantum computers.
Instructor: Marco Govoni
Code: MENG-25610/35610
Room: University of Chicago NOTE: Because of Covid-19 the course has been taught online using Zoom
Class: Winter 2021, TTh 6-7:20pm (US central)
Teaching assistant: Max Topel
This one-quarter course provides hands-on practical training in scientific computing with a focus on applications to molecular engineering. The course provides: (i) training in core programming concepts, including a broad introduction to Python programming and use of key scientific libraries, (ii) advanced programming topics in CPU and GPU parallel programming and quantum computing, exploring their use through practical examples. Hands-on immersive praxis, mostly using electronic notebooks, will introduce students to the efficient use of several computational resources such as pre-exascale and quantum computers.
Instructor: Marco Govoni
Code: MENG-25610/35610
Room: Cobb 104, University of Chicago NOTE: Because of Covid-19 the course has been taught online using Zoom
Class: Spring 2020, TTh 5-6:20pm (US central)
The lecture guides beginner users through the core functionalities of Jupyter Notebooks. This lecture was offered to graduate students of the University of Chicago and to participants of Summer Schools as an warm-up segment in preparation for hands-on sessions.
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Hands-on lecture on numerical methods for Physics. The 2D Poisson equation is solved: analytically, with the spectral method (FFT), and with finite difference methods. This lecture was offered to graduate students of the University of Chicago.
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The lecture guides beginner users through the core functionalities of Qbox, a code used in computational materials science for first-principles molecular dynamics simulations. This lecture was offered to graduate students of the University of Chicago.
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Hands-on lectures for the Quantum Mechanics class, B.S. Physics, University of Modena and Reggio Emilia. This class was taught to ungraduate students in 2009-2012. The class was taught in Italian.
Some exercises were adapted or rearranged from the following books:
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