Espresso-VASP-Gaussian

Towards the selective and energy-efficient synthesis of ethylene via carbon dioxide reduction https://phys.org/news/2024-02-energy-efficient-synthesis-ethylene-carbon.html

A comprehensive transformer-based approach for high-accuracy gas adsorption predictions in metal-organic frameworks | Nature Communications https://www.nature.com/articles/s41467-024-46276-x

Carbon Nitride: A Breakthrough in Material Science | OilPrice.com https://oilprice.com/Energy/Energy-General/Carbon-Nitride-A-Breakthrough-in-Material-Science.html

https://scitechdaily.com/wonder-material-graphene-verified-safe-in-groundbreaking-human-study/ و بازهم گرافن....

چرخه کاهش NO به NH3

Black phosphorus propels spintronics with exceptional anisotropic spin transport https://phys.org/news/2024-01-black-phosphorus-propels-spintronics-exceptional.html

https://qcloud.originqc.com.cn/ کشور چین اخیرا با رونمایی از کامپیوتر کوانتومی امکان دسترسی محدود از راه دور را برای کاربران فراهم کرده از این سایت میتونین استفاده کنین...

https://youtu.be/g_IaVepNDT4?si=G6dUKic3osM64AeT چگونگی عملکرد یک کامپیوتر کوانتومی

Unveiling the Multiradical Character of the Biphenylene Network and Its Anisotropic Charge Transport | Journal of the American Chemical Society https://pubs.acs.org/doi/10.1021/jacs.2c02178

New post from elora Vienna Ab-initio Simulation Package (VASP) and Applications International Workshop: "Vienna Ab-initio Simulation Package (VASP) and Applications" Dates: 14-15 February 2024 Hours: From 13:00 to 17:30 on each day (Time Zone: Europe/Lisbon | GMT+0/UTC+0) Venue: University of Évora, Portugal Meeting type: Online via Zoom We are organizing the international workshop "Vienna Ab-initio Simulation Package (VASP) and Applications" at the University of Évora, Portugal, under the High Performance Computing Chair (a multidisplinary research and development infrastructure) that includes a Work Package and tasks dedicated to Computational chemistry, biochemistry and biophysics. The workshop will occur in 2 afternoons, starting at 1 pm and ending around 5:30 pm, on the 14-15 February 2024. On-line registration and abstract submission is open until January 31, 2024 On behalf of the Scientific Organizing Committee Estelina Lora da Silva, José Coutinho, Alfredo Palace & Miguel Avillez https://psi-k.net/events/vienna-ab-initio-simulation-package-vasp-and-app  

https://phys.org/news/2023-12-molecules-metal-electrode.html نحوه حرکت مولکولهای آب روی سطح الکترود فلزی ...

https://www.nature.com/articles/s42254-023-00655-3 ۴۵ محقق با استفاده از ۱۱ کد محاسباتی بعد از ۲ سال تحقیق این مقاله ارزشمند و منتشر کردند. هر آنچه از دقت و صحت روش نظریه تابعی چگالی نیاز دارین در اینجا میشه پیدا کرد....

Researchers develop a stretchable and efficient wearable thermoelectric energy harvester https://techxplore.com/news/2023-11-stretchable-efficient-wearable-thermoelectric-energy.html نقش ویژگی های مکانیکی در توسعه دستگاه های ترموالکتریکی