top of page

7-Day Online Hands-on-Training/FDP

Rietveld Refinement of X-Ray Diffraction Data (RRD)

(Space Group Determination & Indexing (hkl), Profile Fitting and Crystallite Size-Strain Analysis, Lattice Parameter Calculation, Williamson-Hall Plot, Phase Identification, Doped Structures, Theoretical X-ray Diffraction Pattern)

[Online Live Sessions along with Complete Sessions Recordings]

Open Access Software Tools: FullProf, Breadth Software Package​

Date: 28 February 2026 - 6 March 2026

Timing:  Morning Batch: 9:00 AM – 10:00 AM IST or Evening Batch: 9:00 PM – 10:00 PM IST

Speaker: Dr. Nikhil Aggarwal [Acad Head (CACR), Ph.D. Chemical Science, IIT Madras; M.Sc. (University of Delhi)]

0.jpeg
4.jpg
3.png
2.jpg

Introduction

  • We are glad to announce a 7-day Online Hands-on Training program on Rietveld Refinement of X-Ray Diffraction Data (RRD) (Hands-on-Training using Free Licence Software Tool: FullProf Software package)-Space Group Determination & Indexing (h k l), Profile Fitting and Crystallite Size-Strain Analysis, Lattice Parameter Calculation, Williamson-Hall Plot, Phase Identification, Theoretical X-ray Diffraction Pattern.

​

  • There has been a renaissance in powder diffraction in recent years because Rietveld refinement allows determinations of positional and thermal parameters from powder data, even when the diffraction peaks are not well separated in the recorded pattern. In a polycrystalline sample, information may be lost due to the random orientation of the crystallites. Rietveld developed a refinement method that uses the profile intensities of the composite peaks instead of the integrated quantities. This is a pattern-fitting method of structure refinement and allows extraction of the maximum amount of information contained in the powder pattern.
     

Salient Features

  • The Hands-on Training Program is planned for Faculty (Certification of FDP Completion), Post-docs, Research Scholars, and post-graduate students (Certification of Training Completion).

  • The training session is designed as per the guidelines defined by the UGC and can be used to publish Research Articles

  • We understand the Academic schedules of participants so that complete lecture recordings will be given to all participants.

  • Hands-on training sessions will be held in online mode. Lecture Mode: English

  • E-certificates will be provided to all registered participants.

  • Training will be provided on the Windows Operating system

  • Programming and coding knowledge are not required for the above hands-on training.

  • On successful Registration, an automated email will be sent to confirm your participation.

Click below for Registration: Deadline 9 pm, 27th February 2026, Friday

Participants List: To be Updated 6:00 PM, 23 February 2026

S No
Order number
Participant First Name
Participant Last Name
Academic Status
Present University/ Industry enrolled/associated to
State, Country
1
3000-D76S-RBD
Manoj
Giri
Assistant Professor
DRC (University of Delhi)
Delhi, India
2
3004-F27F-K4M
SANJEEV
GAUTAM
Assistant Professor
PANJAB UNIVERSITY
CHANDIGARH
3
300J-30G9-R8G
Aditi
Puri
Assistant Professor
Shyam Lal College, University of Delhi
Delhi, India
4
300J-BPMK-GM5
Dr. T.
DHARINI
Assistant Professor
Sathyabama Institute of Science and Technology
Tamil Nadu, India
5
3000-7N83-VCV
Augustine Samuel
Alberts
Industry Expert
ALTEN-INDIA PRIVATE LIMITED
Karnataka, India
6
300K-2M5G-MR1
Pankaj
Kumar
Postdoctorate
Indian Institute of Technology (IIT) Kanpur
Uttar Pradesh, India
7
3000-5KZJ-7CT
Navaselviya
M
Lab Technician
Indian Institute of Technology (IIT) Madras
Tamil Nadu, India
8
3005-WK0G-BJZ
Sreehari
P
Amrita Vishwa Vidyapeetham, Coimbatore
Tamil Nadu, India
9
3000-332J-SZM
Firdous
Nayeem
Research Scholar
Bangalore University, Bengaluru
Karnataka, India
10
3000-FTHM-C9F
Amrutha
K
Research Scholar
Ethiraj College for Women
Tamil Nadu, India
11
3009-NXN7-N7R
Kissa
Research Scholar
IISER
India
12
3001-J048-BQ1
Reshma
Sarangi
Research Scholar
Indian Institute of Technology (IIT) Bhubaneswar
Odisha, India
13
3008-8J22-1P1
Ritu Raj
Hazra
Research Scholar
Indian Institute of Technology (IIT) Guwahati
India
14
3005-8L60-Q31
Adarsh
Jain
Research Scholar
Indian Institute of Technology (IIT) Kanpur
Uttar Pradesh, India
15
3000-QD22-1SZ
Kishore
Behera
Postgraduate
Indian Institute of Technology (IIT) Madras
Tamil Nadu, India
16
3001-F3SQ-1KQ
Lakshmi Narayana
Manickavasagam
Research Scholar
Indian Institute of Technology (IIT) Madras
Tamil Nadu, India
17
300J-78SJ-Z4X
Sivaji
Tadisetty
Research Scholar
Indian Institute of Technology (IIT) Madras
Tamil Nadu, India
18
3001-F03T-4W8
Vikrant
Kumar
Postgraduate
Indian Institute of Technology (IIT) Patna
Bihar, India
19
3008-3DH2-7VT
Aman
Malasi
Research Scholar
Indian Institute of Technology (IIT) Roorkee
Uttarakhand, India
20
3008-3DH2-7VT
Ananya
Choudhary
Research Scholar
Indian Institute of Technology (IIT) Roorkee
Uttarakhand, India
21
3000-LSSR-DNV
Rohit
Bisht
Research Scholar
Institute of Nano Science and Technology (INST), Mohali
Punjab, India
22
300J-2P37-23L
Harshita
Bagdwal
Research Scholar
Institute of Nano Science and Technology (INST), Mohali
Punjab, India
23
3000-DMGT-C5L
Saheli
Kar
Research Scholar
National Institute of Technology (NIT)
West Bengal, India
24
3000-JM2X-5SR
Raju
Payyavula
Research Scholar
National Institute of Technology (NIT) Warangal
Telangana, India
25
3001-FHD9-865
Lagudu
Hemanth Rajesh
Research Scholar
National Institute of Technology (NIT) Warangal
Telangana, India
26
300F-N0FN-HQ0
SHUBHAM
PANDEY
Research Scholar
National Institute of Technology (NIT) Warangal
Telangana
27
3001-34BZ-K22
Arya
P
Research Scholar
Pondicherry University
Puducherry, India
28
3008-9XFK-5ZB
Manikandan
Palanivel
Research Scholar
Thiruvalluvar University
Tamilnadu, India
29
3001-53M3-T7V
PS Abhijjith
Sankar
Postgraduate
UM - DAE Centre for Excellence in Basic Sciences (University of Mumbai - Department of Atomic Energy)
Maharashtra, India
30
300J-S7GR-B9V
BASKARAN
K
Research Scholar
Vellore Institute of Technology (VIT)
India
31
3000-C152-27G
Muhammed Afnan
VT
Undergraduate
Visvesvaraya National Institute of Technology, Nagpur
Maharashtra, India
32
3005-0PW7-TNZ
Arvind
Kumar
Research Scholar
Visvesvaraya Technological University
Karnataka

Detailed Daywise Schedule

Day 1: 28 February 2026

Fundamentals

  • Rietveld Refinement

  • Selection of best Reference cif file for refinement of X-ray Diffraction Data Using FullProf Package (example: binary compound of  Li and F)

  • Gaussian vs. Lorentzian vs Pseudo-voigt Peak shapes

  • Conversion of experimental data to .dat file.

Day 2: 1 March 2026

  • Background Correction: Manual and Automatic

  • Calibration of atomic parameters, FWHM parameters, Shape and anisotropic parameters. 

  • Rietveld Refinement of X-ray Diffraction Data of LiF Using FullProf Package

Day 3: 2 March 2026

  • Rietveld Refinement of X-ray Diffraction Data of LaB6 and Ba3V2O5 Using FullProf Package

  • Space Group Determination & Indexing from XRD Data

  • Instrumental Resolution File (IRF) for Rietveld Refinement Using FullProf Package

Day 4: 3 March 2026

Profile Fitting and Crystallite Size-Strain Analysis

Day 5: 4 March 2026

Lattice Parameter Calculation and Indexing (h k l)

Day 6: 5 March 2026

  • Williamson-Hall Plot from XRD Rietveld Analysis: Crystallite Size and Strain

  • Phase Identification Using Rietveld Fit

Day 7: 6 March 2026

Simulate a Theoretical X-ray Diffraction Pattern from CIF File for Phase Identification

Speaker: Dr. Nikhil Aggarwal

Currently, our organisation is under the leadership of Dr. Nikhil Aggarwal, who brings a wealth of knowledge and experience in the computational investigation of molecules, utilising various Density Functional Theory (DFT) approaches. Dr. Aggarwal earned his Ph.D. in Physical Chemistry from the prestigious Department of Chemistry at the Indian Institute of Technology (IIT) Madras in 2017, and he also holds both an M.Sc. and B.Sc. from the University of Delhi. With an impressive portfolio that includes five publications in highly respected international journals, such as those published by the American Chemical Society and Wiley, as well as a book published by Lambert Publishing House in Germany, Dr. Aggarwal has made significant contributions to the field. Furthermore, he was an active participant in the International Conference on Modern Computational Methodologies and Challenges held at the University of Washington, USA, in 2016.

He is actively committed to promoting computational science through online workshops and hands-on training in academic institutions and research industries. We take pride in being the first to offer hands-on training, both online and onsite, in quantum chemical calculations using Density Functional Theory (DFT) approaches. We are proud to announce that in just 4 years, he has successfully trained over 5,000 graduate students, research scholars, professors, and industry experts from 70 countries, including the US, UK, Saudi Arabia, Mexico, Brazil, Malaysia, Kuwait, Germany, Peru, South Korea, India, Finland, Turkey, Iraq, Australia, Philippines, Spain, Jordan, Chile, Taiwan, South Africa, Pakistan, Nepal, Bangladesh, Nigeria, Morocco, Egypt, Sri Lanka, and Algeria, Singapore, Columbia, Sweden, Botswana, Belgium, Canada. His efforts have garnered a rating of 4.76 out of 5.00 from more than 700 international and national participants in our previous workshops. This achievement reflects his commitment to providing high-quality training and education in computational chemistry.

We look forward to continuing our mission of empowering individuals across the globe with valuable skills and knowledge.

bottom of page