Who: The course is aimed at graduate students (MSc and PhD) and undergraduate students that successfully passed introduction to quantum chemistry course, and faculty and other research staff.
Requirements: It is good that participants have a laptop with installed visualization software packages including Gaussian and GaussView.
* Participants who are familiar with basic Gaussian and GaussView may skip first day.
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Tuesday 8 Dec
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Wednesday 9 Dec
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Thursday 10 Dec
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Friday 11 Dec 2020
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10:30 – 11:30
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Intro. Gauss View
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10:30 – 11:30
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Hartree-Fock
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10:30 – 11:30
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Correlated methods
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10:30 – 11:30
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Density Functional Theory
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12:00 – 13:00
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Intro. Gaussian
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12:00 – 13:00
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Correlated methods
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12:00 – 13:00
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MCSCF and excited states
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12:00 – 13:00
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Basis set
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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14:00 – 15:00
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Hands-on-Gaussian
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14:00 – 15:00
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Theoretical exercise
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14:00 – 15:00
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Theoretical exercise
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14:00 – 15:00
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Wave function analysis
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15:00 – 16:00
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Hands-on-Material
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15:00 – 16:00
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Computer exercise
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15:00 – 16:00
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Computer exercise
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15:00 – 16:00
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Theoretical exercise
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Sunday 13 Dec 2020
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Monday 14 Dec 2020
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Tuesday 15 Dec 2020
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Wednesday 16 Dec 2020
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10:30 – 11:30
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10:30 – 11:30
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Relativistic methods
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10:30 – 11:30
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Optimization
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10:30 – 11:30
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Intro. NBO
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12:00 – 13:00
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Theoretical exercise
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12:00 – 13:00
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Molecular properties
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12:00 – 13:00
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Qualitative models
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12:00 – 13:00
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NBOView
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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13:00 – 14:00
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Break
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14:00 – 15:00
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Computer exercise
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14:00 – 15:00
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Computer exercise
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14:00 – 15:00
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Computer exercise
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14:00 – 15:00
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Intro. QTAIM
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15:00 – 16:00
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Computer exercise
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15:00 – 16:00
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Computer exercise
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15:00 – 16:00
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Computer exercise
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15:00 – 16:00
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