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Recordings Edition 2018

31 January - 2 February 2018

# of sessions: 14

Coupled cluster methods

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Professor Marcel Nooijen

University of Waterloo

Canada

Quantum dynamics and its theoretical challenges

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Professor Shirin Faraji

Zernike Institute for Advanced Materials

The Netherlands

Predicting Antioxidant Capacity: Theoretical Chemistry Matching Experiments

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Professor Annia Galano

Universidad Autónoma Metropolitana

Mexico

Understanding time-dependent density-functional theory (TD-DFT)

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Professor Mark E. Casida

Université Grenoble Alpes

France

Coarse graining and molecular kinetics from biased simulations

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Dr Edina Rosta

King's College London

UK

Quantum-chemical calculation of spectroscopic parameters

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Professor Cristina Puzzarini

University of Bologna

Italy

Computational enzymology

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Dr James W. Gauld

University of Windsor

Canada

Benchmarking reaction energies, barrier heights, and noncovalent interaction energies

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Professor Gershom (Jan M.L.) Martin

Weizmann Institute of Science

Israel

Computational medicinal chemistry

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Professor Robert J. Doerksen

University of Mississippi

USA

Using TD-DFT to rationalize the optical spectra of organic compounds

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Professor Denis Jacquemin

Université de Nantes

France

Accuracy of DFT self-consistent electron densities

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Dr Michael G. Medvedev

Nesmeyanov Institute of Organoelement Compounds

Russian Federation

Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses

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Benoit Mignolet

University of Liège

Belgium

Exploring the thioformaldehyde S-oxide sulfine photochemistry and its photoexcitation by ultrashort laser pulses

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Benoit Mignolet

University of Liège

Belgium

Molecular Magnetic Compounds: Calculating Magnetic Couplings Using the DFT Method

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Henrique C. S. Junior

Universidade Federal Fluminense

Brazil

Financial Support

The 2026 edition of the Virtual Winter School on Computational Chemistry will be proudly sponsored by:

The 2025 edition of the Virtual Winter School on Computational Chemistry was proudly sponsored by the School of Chemistry at the University of Edinburgh.