Alireza Lashkaripour

6 Questions 13 Answers 0 Followers

Questions related from Alireza Lashkaripour

How to perform LC-BLYP calculation with GAMESS?

Hello Dears, I am currently working on time-dependent density functional theory (TDDFT) calculations for both singlet and triplet states using the LC-BLYP functional in GAMESS. I believe I have...

02 May 2024 4,679 0 View

How to calculate exfoliation energy for a 2D material with Materials Studio?

Hi! I have built a CuTe2X 2D material and I want to calculate its exfoliation energy using Materials Studio, If you have any experience, please share it. Best Regards -Alireza

17 October 2022 3,776 0 View

Job Alert! /Ph.D. Candidates/Postdoc/Research Professor for MRSF-TDDFT

TITLE: Next Gen. Quantum Theory Developments for Photodynamic Simulations TOPICS: Improvements of MRSF-TDDFT and Nonadiabatic Dynamics Simulations on Photo-biology DESCRIPTION: Ph.D. Candidates...

01 January 1970 7,067 0 View

Job Alert! /Post-Doc Candidates for MRSF-TDDFT

TITLE: Photodynamic Simulations with Next Gen. Quantum Theory TOPICS: Nonadiabatic Dynamics Simulations by MRSF-TDDFT DESCRIPTION: Post-Doc Candidates LOCATION: Theoretical Chemistry Group at...

01 January 1970 9,910 0 View

OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-source Ecosystem

🚀 Introducing OpenQP: A new open-source platform for quantum chemical collaboration, now live at [OpenQP on GitHub](https://github.com/Open-Quantum-Platform/openqp). Discover innovative features...

01 January 1970 5,028 6 View

Job Alert! /Post-Doc Candidates for MRSF-TDDFT

TITLE: Photodynamic Simulations with Next Gen. Quantum Theory TOPICS: Nonadiabatic Dynamics Simulations by MRSF-TDDFT DESCRIPTION: Post-Doc Candidates LOCATION: Theoretical Chemistry Group at...

01 January 1970 4,903 0 View