Mark E. Casida: Talks Given at deMon Developers' Workshops

Last updated: 13 September 2021

Mark E. Casida: Talks Given at deMon Developers' Workshops

• 20th deMon developers workshop

  • Mark E. Casida, "deMon2k: Density-Functional Theory (DFT) for Chemical Physicists/Physical Chemists Workbook Number 1 (Abraham's Workbook)"

  • 31 August-2 September 2021, a virtual workshop organized by J. Cuny, A.M. Köster, A. de la Lande, S. Krishnamurty, T. Mineva, M. Rapacioli, and D.R. Salahub.

• 19th deMon developers workshop

  • Mark E. Casida, "Comparison of TD-DFTB with and without long-range correction for modeling energy and charge transfer times"

  • 26-30 May 2019, Fréjus, France.

• 18th deMon developers workshop

  • Ala Aldin M. H. M. Darghouth and Mark E. Casida, "TD-LC-TDFTB Charge- and Energy-Transfer in Organic Hetereojunction Solar Cells"

  • 5-10 June 2018, Guadalajara, Mexico.

• 17th deMon developers workshop

  • Mark E. Casida, "Networking in Africa and Europe"

  • 10-15 May 2017, Universityof Calgary, Calgary, Alberta, Canada.

• 16th deMon developers workshop

  • Mark E. Casida, "News from Grenoble: (i) spin-contamination in TD-DFT, (ii) intermolecular density and charge transfer"

  • 4-7 April 2016, Zhengzhou, Henan Provence, China.

• 15th deMon developers workshop

  • Mark E. Casida, "Spin contamination in time-dependent density-functional theory excited states: deMon2k and Gaussian09"

  • 28-31 April 2015, Sofia University, Sofia, Bulgaria.

• 14th deMon Developers' Workshop

  • Los Cabos, Baja California Sur, Mexico, 27-39 April 2014.

  • Mark E. Casida and Ala Aldin M. Hani M. Darghouth,

  • "Beginners' Introduction to What Density-Functional Tight Binding (DFTB) Might Be Able to Do for Organic Electronics"

• 13th deMon Developers' Workshop

  • Université Paul Sabatier, Toulouse, France, 24-26 Jun 2013

  • "The ORGAVOLT project: Code and Model Development for ORGAnic PhotoVOLTaics"

• 12th deMon Developers' Workshop

• Shanghai Jiao Tong University, Shanghai, CHINA, 12-15 May 2012.

  • Bhaarathi Natarajan, Mark E. Casida, Luigi Genovese, and Thierry Deutsch,

  • "Implementation of Time-Dependent Density-Functional Theory in the Wavelet Code BigDFT: First Results,"

  • Associated Training Session Course

  • "Time-Dependent Density-Functional Theory," 2 hours.

• 11th deMon Developers' Workshop

  • Jacobs University, Bremen, Germany, 1-3 July 2011.

  • "Dressed Time-Dependent Density-Functional Theory"

• 10th deMon Developers' Workshop

  • Universidade Federal de Minas Gerais, Belo Horizonte, MG, Brazil, 17-18 May 2010.

  • "Time-Dependent Density-Functional Theory (TDDFT) in deMon@Grenoble"

• 9th deMon Developers' Workshop

  • National Chemistry Laboratory, Pune, India, 16-19 February 2009.

  • "Mixed TDDFT/Classical Surface Hopping Method"

• 8th deMon Developers' Workshop

  • Université René Descartes (Paris V), Paris, France, 31 August - 3 September 2007, co-organized by Annick Goursot et Mark E. Casida

  • "Excited-State Spin-Contamination in Time-Dependent Density-Functional Theory for Molecules with Open-Shell Ground States"

• 7th deMon Developers' Workshop

  • Kananaskis Field Station, Kananaskis Country, Alberta, Canada, 21-25 April 2006.

  • "Progress on Time-Dependent Density-Functional Theory (TDDFT) in deMon2k"

• 6th deMon Developers' Workshop

  • Dresden, Germany, 30 March - 3 April 2005

  • "Excitation Energies from TDDFT Using Auxiliary Functions with Charge Conservation Constraint in deMon2K

• 5th deMon Developers' Workshop

  • Tropea, Italy, 1-5 May 2004

  • "Fruits of a Franco-Mexican Collaboration"

• 4th deMon Developers' Workshop : Workshop on Density Functional Theory, Present and Future Challenges and the deMon Developers' 4th Annual Workshop

  • Stockholms Universitet (Stockholm, Sweden), 22-26 April 2003

  • Users' Day: "Introduction to Time-Dependent Density-Functional Theory (TDDFT)"

  • Developers' Session: "deMon Development in Grenoble"

• 3nd deMon Developers' Workshop,

  • Université de Genève (Geneva, Switzerland), 2-6 April 2002

  • Users' Day: "Introduction to Time-Dependent Density-Functional Theory (TDDFT)"

  • Developers' Session: "deMon-DynaRho version 3.2 (Geneva release): What is new and what is next?"

• 2nd deMon Developers' Workshop,

  • CINVESTAV (Mexico City, Mexico), 12-16 March 2001

  • "Molecular Orbital Energies in Kohn-Sham Density-Functional Theory: The Exchange-Only Optimized Effective Potential Obtained for Molecules via Resolution-of-the identity Auxiliary Function Techniques"

• 1st deMon Developers' Workshop,

  • Steacie Institute (Ottawa, Ontario, Canada), 14-19 March 2000

  • "deMon-DynaRho : A Program for Calculating Electronic Excitation Spectra from Time-Dependent Density-Functional Theory"