Bioinformatics

📣 Pre-Registration Now Open for the International ORCA Workshop
✅ Interested? Please fill out this short pre-registration form:
👉 https://forms.gle/UQZgNvr26AGBSnja6
____________________________________
Are you interested in learning how to perform quantum mechanical calculations using the powerful and free ORCA software package?
We are excited to announce a potential international workshop on ORCA, a widely used program for quantum chemistry calculations. Whether you're a beginner or have basic knowledge of computational chemistry, this workshop is designed to introduce you to ORCA and help you get started with geometry optimization, frequency analysis, transition state searches, and more.
👨‍🏫 Instructor: Dr. Mehdi Irani — a recognized expert in computational chemistry
🔗 https://prof.uok.ac.ir/m.irani/index.htm
____________________________________
🧪 What is ORCA?
ORCA is a versatile and efficient quantum chemistry software developed by the Neese group. It supports a wide range of methods, including:
• Hartree–Fock
• DFT
• Post-Hartree–Fock methods (e.g., MP2, CCSD)
• Multiscale QM/MM techniques
It is freely available for academic use and runs on Linux, macOS, and Windows platforms.
________________________________
📚 Topics to Be Covered
• Introduction to quantum mechanical methods in chemistry
• Installing and running ORCA on your system
• Preparing input files for basic and advanced calculations
• Geometry optimizations and single-point energy calculations
• Frequency calculations and reaction transition states
• Analyzing output files
• (Possibly) An introduction to QM/MM and QM1/QM2 multiscale methods using ORCA
________________________________
🎯 Who Should Attend?
This workshop is suitable for:
• Students, researchers, and faculty with elementary knowledge of quantum chemistry or molecular modeling
• Beginners looking to start using ORCA for their computational research
• Participants from any country or region interested in theoretical chemistry
________________________________
📅 Tentative Date
The workshop is planned for late August or early September 2025.
The exact date and structure will be finalized based on the number of interested participants.

Google Docs

Pre-Registration_ORCA Workshop

Pre-Registration Now Open for the International ORCA Workshop

👍4❤2

www.tgoop.com/Bioinformatics/2330

2.36K viewsJul 9 at 19:00

📣 Pre-Registration Now Open for the International ORCA Workshop
✅ Interested? Please fill out this short pre-registration form:
👉 https://forms.gle/UQZgNvr26AGBSnja6
____________________________________
Are you interested in learning how to perform quantum mechanical calculations using the powerful and free ORCA software package?
We are excited to announce a potential international workshop on ORCA, a widely used program for quantum chemistry calculations. Whether you're a beginner or have basic knowledge of computational chemistry, this workshop is designed to introduce you to ORCA and help you get started with geometry optimization, frequency analysis, transition state searches, and more.
👨‍🏫 Instructor: Dr. Mehdi Irani — a recognized expert in computational chemistry
🔗 https://prof.uok.ac.ir/m.irani/index.htm
____________________________________
🧪 What is ORCA?
ORCA is a versatile and efficient quantum chemistry software developed by the Neese group. It supports a wide range of methods, including:
• Hartree–Fock
• DFT
• Post-Hartree–Fock methods (e.g., MP2, CCSD)
• Multiscale QM/MM techniques
It is freely available for academic use and runs on Linux, macOS, and Windows platforms.
________________________________
📚 Topics to Be Covered
• Introduction to quantum mechanical methods in chemistry
• Installing and running ORCA on your system
• Preparing input files for basic and advanced calculations
• Geometry optimizations and single-point energy calculations
• Frequency calculations and reaction transition states
• Analyzing output files
• (Possibly) An introduction to QM/MM and QM1/QM2 multiscale methods using ORCA
________________________________
🎯 Who Should Attend?
This workshop is suitable for:
• Students, researchers, and faculty with elementary knowledge of quantum chemistry or molecular modeling
• Beginners looking to start using ORCA for their computational research
• Participants from any country or region interested in theoretical chemistry
________________________________
📅 Tentative Date
The workshop is planned for late August or early September 2025.
The exact date and structure will be finalized based on the number of interested participants.

BY Bioinformatics