Computational and Quantum Chemistry – Telegram
Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
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Hi everyone, I am looking for speakers for Earth05 upcoming webinar.

# Theme ‘WATER CONSERVATION IN THE AGE OF AI”
E4 Topic: 'Quantum Water' - Series 1, Episode 4
Date & Time March 7, 2024, 03:30 PM CET (9:30 NYC Time)

In brief, the webinar will cover how quantum computing transforms water resource management and explore holistic quantum healing approaches for water restoration in this concise webinar.

Feel free to send me a message! Cheers, Maria

Www.earth05.org
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xtb version 6.7.0 is available for download!

# New features
* CPCM-X in #838
* outer region saturation by in #848
* writing updated coord AND xtbopt.xyz during external driver optimization (including nicer printout) in #828
* Implement dipole moment in GFN-FF in #869
* Add "--tmcosmo" mode for writing .cosmo files with TM convention in #864
* Dimer Projection Method DIPRO for xtb in #856
* add CMake option INSTALL_MODULES in #921
* constrain all atoms in #928
* Periodic boundary conditions in GFN-FF in #929
* REVISED: Implementation of the density tight-binding (PTB) method by in #963
* Sandwich Potential in #930
* raman activities with adjustable wavelength and T in #967
* add Stale workflow in #972

https://github.com/grimme-lab/xtb/releases/tag/v6.7.0
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