Welcome to Libra Discussions!

[alexvakimov]

👋 Welcome!

We’re using Discussions as a place to connect with other members of our community. We hope that you:

• Ask questions you’re wondering about.
• Share ideas.
• Engage with other community members.
• Welcome others and are open-minded. Remember that this is a community we
  build together 💪.

To get started, comment below with an introduction of yourself and tell us about what you do with this community.

[alexvakimov]

Hi all,
Just to give an example of your first post on the discussions here (see the suggestions in the very first one), let me start.

👋 My name is Alexey Akimov. 👨‍🏫 I'm an Assistant Professor at the University at Buffalo (UB)

My group works on various topics in quantum-classical and quantum nonadiabatic dynamics, including the development of new methods for excited states dynamics simulation in periodic and nanoscale models of materials.

I am the principal developer and maintainer of this (Libra) code, so it is likely you'll see my posts more frequently here. Also, @bsmith24, @WeiLiweili, @MohammadShakiba, and @storytemen have been helping a lot recently, and @Pulokesh and @kosukesato in the past. Guys, please introduce yourself, and let's keep the discussion going.

P.S. you can use Markdown styling here, emoticons, and referencing someone (I just tried a few of those things).

[MohammadShakiba]

Hello everyone, 👋

Thank you very much Alexey for starting this 🙏. Let me introduce myself. My name is Mohammad Shakiba and I have recently completed a master's in Nanomaterials Engineering at the Shahid Bahonar University of Kerman in Iran. I have experience in coding with Python, MATLAB, and some C/C++. With Libra you can use different software packages and methodologies available in them to do nonadiabatic dynamics in different bases. Recently, we have implemented a new methodology in Libra which is able to do the nonadiabatic dynamics both in single-particle and many-body (LR-TD-DFT) bases using CP2K, Gaussian, and DFTB+ software packages.

I'll be happy if I can answer your questions about using Libra. 😉😊