Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…
The Psi-k forum mailing lists are now closed permanently. Please read this announcement about the new Psi-k mailing list.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
QuantumATK U-2022.12 Release: Highlights of New ... (No replies)
Back to General announcements...
Join our FREE online event to learn about the latest features and performance enhancements in the QuantumATK U-2022.12 product release. See how QuantumATK can provide impactful ROI on:
• Quality of Results: Combination of PAW + LCAO where the highest DFT precision is required
• Turnaround Time: Using machine-learning, HKMG and MTJ structures can now be generated in hours instead months
• Ease of Use: New and easy way to build complex workflows directly in NanoLab
Register here: https://register.gotowebinar.com/rt/4096642212444151822?source=Psi-k
Discover these features with highlights below:
• Machine-Learned (ML) Force Fields
• R2SCAN Exchange-Correlation Functional
• Updates Related to Molecular Dynamics and Force Fields
• Defect-Assisted Recombination from DFT Calculations
• PAW (Projector Augmented Wave) method for LCAO
• New Workflow Builder
• Atomistic Spin Dynamics - Integration with Vampire
• Modelling of Homogeneous Electric Fields in DFT
• COSMO and COSMO-RS
Extended Q&A session with interactive live-demo.
You are welcome to ask questions throughout the webinar or at the end during the Q&A session.
Contact us for more information at [email protected].
Register here: https://register.gotowebinar.com/rt/4096642212444151822?source=Psi-k