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7-Days Online Hands-on Trainng on DFT Modelling at Molecular Level using Gaussian (DFT-G)

Tue, 06 May

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Online FDP [Live + Recordings]: DFT-G

7 Training Sessions by Dr. Nikhil Aggarwal [Head, Centre for Advanced Computational Research], Ph.D [IIT Madras], M.Sc. & B.Sc. [Delhi University]

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7-Days Online Hands-on Trainng on DFT Modelling at Molecular Level using Gaussian (DFT-G)
7-Days Online Hands-on Trainng on DFT Modelling at Molecular Level using Gaussian (DFT-G)

Time & Location

06 May 2025, 8:00 pm IST – 12 May 2025, 9:00 pm IST

Online FDP [Live + Recordings]: DFT-G

Guests

About the event

6 May 2025: Day 1 - Session 1: Fundamentals

  • Introduction to Computational Science: Quantum Mechanical vs. Molecular Mechanical Calculations

  • Density Functional Theory (DFT)

  • Molecular size vs. accuracy vs. Time factor

  • Molecular Structure Building

  • Pre-optimization (Classical Mechanical Modelling)


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