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Mon, 19 Jun
|Online FDP [Live + Recordings]: MMN
7-Days Online FDP/Workshop on "Materials Modelling at Nanoscale" |Hands-on-Training| |MMN|
Two Sessions by Eminent Invited Speakers and 5 Training Sessions by Dr. Nikhil Aggarwal [Head, Centre for Advanced Computational Research], Ph.D [IIT Madras], M.Sc. & B.Sc. [Delhi University]
Time & Location
19 Jun, 9:00 pm IST – 25 Jun, 10:00 pm IST
Online FDP [Live + Recordings]: MMN
Guests
About the event
- Download complete brochure by clicking here.
- Daily 1.0 Hr session for 7 Days.
- Recordings will be shared after every Live session.
Detailed Day wise Schedule
19 June 2023: Day 1 - Session 1: By Dr. Nikhil Aggarwal, HOD [ACC]
- Define -Unit cell structure from .cif files, web databases, Draw Supercell, 3D-Crystal Structure
- Atomic Manipulations, Doped Structure, vacancy
- Monolayers, Bilayers, SLAB Modelling
- Pseudopotentials, Parametrization of plane wave function, kinetic energy and charge density cut-off
20 June 2023: Day 2 - Session 2: Invited Lecture
21 June 2023: Day 3 - Session 3: By Dr. Nikhil Aggarwal, HOD [ACC]
- Selection of high symmetry points for SCF
- Self-Consistent Field (SCF) calculation
- Energy convergence, k-points selection
- Calculation of BAND-GAP from SCF calculation
- Structures Optimization of unit cell via Relax and vc-relax methods
22 June 2023: Day 4 - Session 4: By Dr. Nikhil Aggarwal, HOD [ACC]
- GGA vs. LDA approximations
- DFT Simulations of Crystal Systems Database
- Optical properties calculation: Band Structure (E vs. K: Dispersion curves)
- Calculations for conductors, semiconductors and insulators, Analysis and Interpretation
23 June 2023: Day 5 - Invited Lecture
24 June 2023: Day 6 - Session 6: By Dr. Nikhil Aggarwal, HOD [ACC]
- Band Gap, Direct vs Indirect Semiconductors, Density of States (DOS), Molecular Orbitals Plot
- Bulk Modulus and Equation of State Calculation
- Spin polarised Magnetic Moment calculation
25 June 2023: Day 7 - Session 7: By Dr. Nikhil Aggarwal, HOD [ACC]
- Calculation on an isolated MOLECULE using periodic DFT code
- Calculation on NANOCLUSTER DFT code
- Graphene Band structure and DOS Calculation
- MoS2 band structure and DOS Calculation
Salient Features:
- Eligibility: Candidate must have knowledge of science  (not less than under-graduation level)
- FDP will be taken via online mode: Platform-Zoom
- Registered candidates can submit a short report (template will be provide) for further screening
- E-certificates will be provided to all registered participants
- Training will be provided on Windows Operating system
- Programming and coding knowledge is not required for above FDP.
- Lecture Mode: English
Schedule
145 hoursFDP: Computer Aided Drug Discovery
online
Tickets
Price
Quantity
Total
Participant: Indian National
₹1,500.00
+₹37.50 service fee
7-Days FDP: Materials Modelling at Nanoscale (MMN) Step1: Click on + icon then Click on Checkout option below Step2: Enter your Details then Tick on Terms and Conditions/policy Step3: Submit Fees via Netbanking, UPI, Debit and Credit card. Step4: Check Email inbox for receipt.
₹1,500.00
+₹37.50 service fee
0₹0.00
Participant: International
₹4,200.00
+₹105.00 service fee
7-Days FDP: Materials Modelling at Nanoscale (MMN)
₹4,200.00
+₹105.00 service fee
0₹0.00
Total
₹0.00