Shiv Nadar University
Shiv Nadar University
Shiv Nadar University
Shiv Nadar University
Shiv Nadar University
Shiv Nadar University

SAGAMORE XX-2024

IUCR Commission on QUANTUM CRYSTALLOGRAPHY

DATE: 10-15 NOVEMBER 2024
Workshop on Quantum Crystallographic Tools on 16 November 2024

Venue: Shiv Nadar Institution of Eminence, Delhi NCR

WATCH PROMO
VIDEO

ABOUT THE CONFERENCE

SAGAMORE XX

We are excited to welcome you to the Sagamore XX conference of the International Union of Crystallography (IUCr) Commission on Quantum Crystallography (QCr). Shiv Nadar Institution of Eminence, Delhi NCR, India is proud to host this prestigious international meeting at a wonderful time of the year!

Sagamore meetings began in 1964 as an international conference dedicated to the study of charge, spin, and later, momentum densities and now Quantum Crystallography.

The Sagamore conferences have traditionally concerned interchange between researchers interested in property densities or distributions of materials such as the electron distribution, spin distribution, nuclear particle distribution, and electrostatic potential studied by the most accurate theoretical methods, and using the most advanced experimental techniques. There has been a focus on diffraction and scattering methods, and reconciling differences between the different methodologies.

The field has undergone rapid change in the last decade, with the term “Quantum Crystallography” being used to emphasize wave function based modelling methods. At the same time, both the quantity and precision of data have also increased due to advances in detector technology. There is a race to make the data from these methods available to general chemists, and to reveal new physical and chemical insights that may be exploited.

Conference Topics

  • Ultrafast Spectroscopy
  • NMR Crystallography
  • Photocrystallography
  • X-ray and Neutron Diffraction
  • Electron Diffraction
  • Polarized Neutron Diffraction
  • X-ray Free Electron Laser
  • Chemical Bonding, Interaction Energy and Lattice Energy
  • Charge Density Analysis
  • Nuclear Dynamics & Force Fields
  • Prediction of Crystal Structures and Properties
  • Material Properties and Quantum Crystallography
  • Quantum Crystallography Tools
  • Quantum Refinement of Protein Structures
  • Enzyme Mechanisms: Quantum and Complementary Approaches
Shiv Nadar University

IMPORTANT DATES

15 May 2024

Abstract Submission
Started

20 October 2024

Abstract Submission
Closed

15 May 2024

Regisration
Started

20 October 2024

Late Registration
Closed

20 October 2024

Bursary Application
Closed

PLENARY SPEAKERS
1

Dr. Junko Yano

Lawrence Berkeley National Lab, USA

1

Prof. Hosea Nelson

California Institute of Technology, USA

1

Prof. Sarah (Sally) L Price, FRS

University College London, UK

1

Prof. Paul Hodgkinson

Durham University, UK

1

Prof. Shridhar R. Gadre

Savitribai Phule Pune University, India

KEYNOTE SPEAKERS
1

Dr. Xiaoping Wang

Oak Ridge National Laboratory, USA

1

Prof. Hans-beat Bürgi

University of Bern, Switzerland

1

Prof. Artem R. Oganov

Skolkovo Institute of Science and Technology, Russia

1

Dr. Simon Grabowsky

University of Bern, Switzerland

Registration# Type
(Deadline)
Early Bird
(15 July)
Regular
(30 September)
Late
(20 October)
On spot
Regular faculty * INR 34200 INR 42500 INR 50750 INR 59000
Students ** INR 12700 INR 15000 INR 17700 INR 21250
Accompanying person INR 17000 INR 21250 INR 25350 INR 29500
Industry/Non-academic INR 51000 INR 63750 INR 76000 INR 90000
#Conference Registration fee includes the following:

18% GST (mandatory for all conferences in India), local transport (will be provided to the participants opting for on campus accommodation) from and to the IGI airport or nearest railway/metro station, admission to all scientific sessions, breakfast, lunch, dinner, tea/coffee/high tea, and gala dinner, certificate of attendance, registration kit.

*Retired faculty with limited funds are entitled to a 50% waiver and complimentary on-campus accommodation (Studio) between 10 – 15 November 2024.
**Applicable to Post-doc/Ph.D./PG/UG students and Project/Research Assistants.

Please note: Fees of INR 4500/ INR 2800 (includes entry fee, transport, and meal) Foreigner/Indian, respectively, for the Taj Mahal day tour on 14 November is not included in the conference registration fee. The tour is organized only for the conference participants.

We are happy to announce the following bursaries.

Complimentary on-campus hostel accommodation (non-AC twin sharing room with attached toilet) between 10 - 16 November 2024 for the Indian and Foreign Ph.D./PG/UG students.

Anusandhan National Research Foundation (ANRF, formerly SERB): Domestic Travel Support for the Young and Senior Indian Scientists.

Indian Crystallographic Association (ICA): Domestic Travel Support (by three-tier AC train (or equivalent fare) from a station nearest the participant’s workplace to the conference venue) for the Indian students (Ph.D./PG/UG). Click here for the ICA membership.

Prerequisites and required documents
  1. Copy of an abstract as the presenting author.
  2. CV containing name, work address, contact details, date of birth, educational background, and list of publications and achievements.
  3. A Letter of Recommendation from the Supervisor or Head of the Department/Group stating the applicant's status (Ph.D./PG/UG student) and that the student does not have sufficient funds from any National/International fellowship schemes and the research organizations.

Please note: The travel expenses with valid tickets will be reimbursed to the selected awardees after the conclusion of the conference. Further information is to be shared through e-mail. Only complete applications will be accepted.

How to apply

Applicants must email the requested documents (1- 3) in a single PDF file with the Subject: “ICA Travel bursary application for the Sagamore 2024: Applicant’s name” to [email protected] by 20 October 2024.

Senior Scientists can express their interest in the ANRF Bursary by sending an e-mail to [email protected] by 20 October 2024.

We are happy to announce the following awards.

  • Three Best Poster Awards to be awarded by the International Union of Crystallography: Printed Award Certificate & Vouchers for a 50% reduction fee on the open-access fee for publishing one article in any IUCr Journal.
  • Three Best Poster Awards to be awarded by the Royal Society of Chemistry: Printed Award Certificate and a complimentary RSC student membership for one year.
  • Three Best Poster Awards to be awarded by the Journal of Molecular Structures: Printed Award Certificate & Cash prize in INR.

Poster dimension: 48 Inch x 36 Inch (Portrait). Posters will be affixed on the concrete wall with tapes, which will be supplied on-site.

Please download the abstract template (click here) and upload only .pdf file following the format First Name-Last Name_Session#.pdf. Session numbers are listed in the programme schedule below. In the submission page, please specify whether the abstract is submitted for an oral presentation or for a poster presentation.

PROGRAM SCHEDULE

Conference Venue: G-Block Auditorium

16:00 - 17:30

REGISTRATION

17:30 - 18:00

WELCOME ADDRESS BY CHAIR & CO-CHAIRS, SAGAMORE 2024 AND CHAIR, QCr COMMISSION
Parthapratim Munshi, Dylan Jayatilaka, Tayur N. Guru Row, Paulina M. Dominiak

18:00 - 19:00

SESSION 1: ULTRAFAST SCIENCE
Chair: Tayur N. Guru Row, Indian Institute of Science, Bangalore, India

18:00 - 18:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

18:05 - 18:55

PL 1: Capturing the Sequence of Events During the Light-Driven Water Oxidation Reaction in Photosystem II Using XFELs
Junko Yano, Lawrence Berkeley National Lab, USA

18:55 - 19:30

CULTURAL PROGRAM
Incredible India: A Celebration of Dance

19:30 - 21:30

WELCOME RECEPTION DINNER
G-block Ground Floor Hall Area

8:00 - 9:00

BREAKFAST
G-block Ground Floor Hall Area

9:00 - 12:30

SESSION 2: A PLETHORA OF EXPERIMENTAL CRYSTALLOGRAPHIC PROBES
Chair: Junko Yano, Lawrence Berkeley National Lab, USA

9:00 - 9:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 2: New Chemical Reactions and Diffractions-guided Natural Product Discovery
Hosea Nelson, California Institute of Technology, USA

9:55 – 10:30

KN 1: Advancing Single Crystal Neutron Diffraction Beyond Three Dimensions
Xiaoping Wang, Oak Ridge National Laboratory, USA

10:30 - 11:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

11:00 - 11:20

IL 1: Electron Beam as a Probe Through the Eyes of a Quantum Crystallographer
Paulina M. Dominiak, University of Warsaw, Poland

11:20 - 11:40

IL 2: Probing Chemical Bonding Local to Nanostructures - The Case of Aluminium Nanovoids.
Philip Nakashima, Monash University, Australia

11:40 - 12:00

IL 3: Photocrystallography
Dominik Schaniel, Université de Lorraine, France

12:00 - 12:20

IL 4: Insights into Novel Magnetic and Lattice Structures Using Polarized Neutrons
Huibo Cao, Oak Ridge National Laboratory, USA

12:20 - 12:30

OP 1: Comparative Study of Polymorphs of Stryker’s Reagent Using MicroED and Quantum Crystallography
Kunal Kumar Jha, California Institute of Technology, USA

12:30 - 14:00

PHOTO SESSION, LUNCH & NETWORKING
G-block Ground Floor Hall Area

14:00 - 15:30

SESSION 3: Enzyme mechanisms: Quantum and complementary approaches
Chair: Dylan Jayatilaka, University of Western Australia, Australia

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 5: The Biochemical Role of the Electrostatic Potential of ATP Synthase
Cherif Matta, Mount Saint Vincent University, Canada

14:25 - 14:45

IL 6: High-Energy, Ultra-High Resolution Protein Crystallography
Ashwin Chari, Max Planck Institute for Multidisciplinary Sciences, Germany

14:45 - 15:05

IL 7: AlphaFold and its impact on streamlining structure solution
Dorothee Liebschner, Lawrence Berkeley National Laboratory, USA

15:05 - 15:20

IL 8: Electric Field Induced Catalysis
Kshatresh Dutta Dubey, Shiv Nadar IoE, India

15:20 - 15:30

OP 2: Advancing Electron Density Reconstruction in Macromolecules: A New Approach to Atom Types Recognition with MATTS Data Bank
Paulina Maria Rybicka, University of Warsaw, Poland

15:30 - 16:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

16:00 - 18:00

SESSION 4: QUANTUM CRYSTALLOGRAPHY: PUSHING BOUNDARIES
Chair: K. B. Joshi, ML Sukhadia University, India

16:00 - 16:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

16:05 - 16:25

IL 9: Next Generation QTAIM for Ultrafast Processes
Samantha Jenkins, Hunan Normal University, China

16:25 - 16:45

IL 10: Towards the Exploitation of the X-ray Restrained Wave Function Approach of the Development of Exchange-Correlation Functionals
Alessandro Genoni, University of Lorraine, France

16:45 - 17:05

IL 11: All density functional theory (DFT) is wrong: the average of the properties is not equal to the properties of the average
Simon J. L. Billinge, Columbia University, USA

17:05 - 17:25

IL 12: Understanding Multiple-Stimuli Responsiveness of Purely Organic D-B-A Dyad Crystals with Pump-Probe Photocrystallography and High-Pressure Crystallography
Krishnayan Basuroy, DESY, Hamburg, Germany

17:25 - 17:35

OP 3: 3D Electron Versus X-ray Diffraction Charge Density Analysis on Simulated and Experimental Data
Anil Kumar, University of Warsaw, Poland

17:50 - 18:00

17:35 - 17:45

OP 4: Structure-based Screening of VEGFR2 Inhibitors that Abrogates Tumor Growth by Inhibiting Angiogenesis
Biswajit Mohanty, Shiv Nadar IoE, India

17:45 - 19:45

POSTER SESSION
G-block Ground Floor Hall Area

19:45 - 21:00

DINNER & NETWORKING
G-block Ground Floor Hall Area

21:00 - 21:30

PRESENTATIONS FOR SAGAMORE XXI

8:00 - 9:00

BREAKFAST
G-block Ground Floor Hall Area

9:00 - 12:30

SESSION 5: NUCLEAR DYNAMICS AND FORCE FIELDS
Chair: Bo B. Iversen, University of Aarhus, Denmark

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 3: The Role of NMR Spectroscopy in Understanding H Positioning and Dynamics in Organic Solids
Paul Hodgkinson, Durham University, UK

9:55 - 10:30

KN 2: Bias and Uncertainty in the Interpretation of Bragg Diffraction Data
Hans-beat Bürgi, University of Bern, Switzerland

10:30 - 11:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

11:00 - 11:20

IL 13: Non-Resonant X-Ray Scattering as a Probe of Bonding and Electron Correlation
Andres Moreno Carrascosa, University of Oxford, UK

11:20 - 11:40

IL 14: Using solid-state NMR to unravel structural details of co-amorphous systems of active pharmaceutical ingredients
Sheetal Kumar Jain, Indian Institute of Science, Bangalore, India

11:40 - 12:00

IL 15: Dynamic Quantum Crystallography- Principles, Applications, Perspectives
Anna A. Hoser, University of Warsaw, Poland

12:00 - 12:20

IL 16: Modelling the Interplay Between Vibrations and Disorder in Crystalline Materials
Kasper Tolberg, Aalborg University, Denmark

12:20 - 12:30

OP 5: Lattice dynamics and Flexibility of crystalline materials
Meha Bhogra, Shiv Nadar Institution of Eminence, India

12:30 - 14:00

LUNCH & NETWORKING
G-block Ground Floor Hall Area

14:00 - 15:30

SESSION 6: Materials properties and quantum crystallography
Chair: Philip Nakashima, Monash University, Australia

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 17: Chemical bonding, anharmonic motion and disorder in thermoelectric materials
Bo B. Iversen, University of Aarhus, Denmark

14:25 - 14:45

IL 18: Effects of twining for charge density study from high-resolution synchrotron single crystal diffraction data
Eiji Nishibori, University of Tsukuba, Japan

14:45 - 15:05

IL 19: Nano-scale local electrostatic potential analysis of ferroelectrics and multiferroics using CBED
Kenji Tsuda, Tohoku University, Japan

15:05 - 15:20

IL 20: Hybrid Two-dimensional Porous Materials (H2DPMs)
Jayaramulu Kolleboyina, Indian Institute of Technology, Jammu

15:20 - 15:30

OP 6: Understanding Distinct Ferroelectric Behavior of Polar Polymorphic Forms: Insights from Quantum Crystallography
Yogita Gupta, Shiv Nadar IoE, India

15:30 – 16:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

16:00 - 16:20

IL 21: Chemical Reactions in Water-Soluble Cages
Partha Sarathi Mukherjee, Indian Institute of Science, Bangalore, India

16:20 - 16:40

IL 22: Adaptive Molecular Crystals: From Mechanical Flexibility to Self-Healing
C. Malla Reddy, Indian Institute of Technology, Hyderabad

16:40 - 17:00

IL 23: Spin-State Switching in Dynamic Crystals
Sanjit Konar, Indian Institute of Science Education and Research, Bhopal, India

17:00 - 17:15

IL 24: Multiscale Modelling of the Stability and Catalytic Activity of Materials for Sustainable Energy Resources
Naiwrit Karmodak, Shiv Nadar Institution of Eminence, India

17:15 - 17:30

VOTING FOR SAGAMORE XXI

17:30 – 18:00

BREAK

18:00 - 22:00

BANQUET
VENUE: The Stellar Gymkhana, Clover Hall

8:00 - 9:00

BREAKFAST
G-block Ground Floor Hall Area

9:00 - 12:30

SESSION 7: PREDICTIONS: CRYSTAL STRUCTURE & MATERIAL PROPERTIES
Chair: Vijay Kumar, Shiv Nadar Institution of Eminence, India

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 4: Organic Crystal Structure Prediction: What is Needed for Confident Prediction of Polymorphs?
Sarah (Sally) L Price, University College London, UK

9:55 - 10:30

KN 3: Electronegativity, Chemical Hardness, and Compound Formation: New Twists on Old Ideas
Artem Oganov, Skolkovo Institute of Science and Technology, Russia

10:30 - 11:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

11:00 - 11:20

IL 25: Local-to-Global Optimization Approach for Accelerated Molecular Crystal Structure Prediction
K. V. Jovan Jose, University of Hyderabad, India

11:20 - 11:40

IL 26: Rethinking on Quantum Mechanical Tunneling for Reactions on Solids and Materials
Ayan Datta, Indian Association for the Cultivation of Science, India

11:40 - 12:00

IL 27: Predicting Crystal Growth from Solution via Intermolecular Interactions
Peter Spackman, Curtin University, Australia

12:00 - 12:15

IL 28: Developing a Deeper Understanding into Promising Electrode Materials for Na-ion Batteries
Priya Johari, Shiv Nadar Institution of Eminence, India

12:15 - 12:30

IL 29: Applications of Physics-based and Data-driven Computational Approaches for Druggability Prediction
N. Arul Murugan, Indraprastha Institute of Information technology, New Delhi

12:30 - 14:00

LUNCH & NETWORKING
G-block Ground Floor Hall Area

14:00 - 15:25

SESSION 8: QUANTUM CRYSTALLOGRAPHIC TOOLS AND THEIR ADVANCEMENTS
Chair: Paulina Dominiak, University of Warsaw, Poland & Simon Grabowsky, University of Bern, Switzerland

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 30: On Local Coordinate Systems and Databases
Piero Macchi, Politecnico di Milano, Italy

14:25 - 14:45

IL 31: CRYSTAL23, another step forward in the analysis of the electronic density of materials
Silvia Casassa, University of Torino, Italy

14:45 - 15:05

IL 32: The balance between speed and accuracy in quantum crystallography
Lorraine Malaspina, University of Bern, Switzerland

15:05 - 15:25

IL 33: Charge-Density Experiments at Home Lab: Tips & Tricks for Data Collection & Processing
Prathapa S. Jagannatha, Bruker India Scientific Pvt. Ltd, India

15:25 - 16:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

16:00 - 17:50

SESSION 8 Continued

16:00 - 16:20

IL 34: The Future of Crystallography is Quantum Crystallography
Horst Puschmann, Durham University, UK

16:20 - 16:40

IL 35: Quantum Mechanics Based Electron Densities Within the Push of A Button – Semi-empirical Methods and Machine Learning
Florian Kleemiss, RWTH Aachen University, Germany

16:40 - 16:50

OP 7: X-ray Quantum Crystallographic Insights Into Exotic Bonds
Sajesh P. Thomas, Indian Institute of Technology, Delhi

16:50 - 17:00

OP 8: QCrBox: Unlocking (Quantum) Crystallography
Paul Niklas Ruth, Durham University, UK

17:00 - 17:10

OP 9: Enhancing Polymeric Structures with Hirshfeld Atom Refinement: A Study on MOFs and COFs
Magdalena Woinska, University of Warsaw, Poland

17:10 - 17:20

OP 10: Periodic Hirshfeld Atom Refinement of Network Compounds
Kanghyun Chu, University of Bern, Switzerland

17:20 - 17:30

OP 11: Polarization Effects in Piezoelectric Molecular Crystals Probed by X-ray Quantum Crystallography and High-Pressure Simulations
Srijan Mondal, Indian Institute of Technology, Delhi

17:30 - 17:40

OP 12: One-Electron Reduced Density Matrices Refinement in both Position and Momentum Spaces
Sizhuo YU, CentraleSupélec, France

17:40 - 18:00

BREAK

18:00 - 19:00

SESSION 9: CLOSE MEETING OF THE IUCR COMMISSION ON QUANTUM CRYSTALLOGRAPHY
Moderator:
Paulina Dominiak, University of Warsaw, Poland

19:00 - 20:00

DINNER & NETWORKING
G-block Ground Floor Hall Area

20:00 - 21:30

SESSION 10: OPEN MEETING OF THE IUCR COMMISSION ON QUANTUM CRYSTALLOGRAPHY
Moderator:
Paulina Dominiak, University of Warsaw, Poland

7:00 - 7:30

BREAKFAST

7:30 - 19:30

CONFERENCE TOUR : TAJ MAHAL & AGRA FORT & NETWORKING

19:30 - 21:00

DINNER
G-block Ground Floor Hall Area

8:00 - 9:00

BREAKFAST
G-block Ground Floor Hall Area

9:00 - 12:30

SESSION 11: Chemical bonding, non-covalent interactions and topological analyses
Chair: Pierre Becker, Université Paris-Saclay, France & Horst Puschmann, Durham University, UK

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 5: A Topological Tale of Two Scalar Fields
Shridhar R. Gadre, Savitribai Phule Pune University, India

9:55 - 10:30

KN 4: Quantum Crystallography for Chemical Bonding Analysis
Simon Grabowsky, University of Bern, Switzerland

10:30 - 11:00

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

11:00 - 11:20

IL 36: Polarization induced by electric fields on intermolecular interactions: atomic transfer in halogen-bonded complexes
Enrique Espinosa, University of Lorraine, France

11:20 - 11:40

IL 37: Understanding Binding Affinity Through Non-Covalent Interactions: Myth or Goal?
Maura Malinska, University of Warsaw, Poland

11:40 - 12:00

IL 38: Crystal Engineering of Pharmaceutical Solids to Enhance Stability and Solubility for Improved Therapeutic Efficacy
Rajesh R. Gonnade, National Chemical Laboratory, Pune

12:00 - 12:20

IL 39: Chemical Bonding and Electronic Structures of Stable Metal-Radical Complexes
Kartik Chandra Mondal, IIT Madras

12:20 - 12:30

OP 13: Structural studies and computational analyses on a series of thiols and their supramolecular interactions using X-ray quantum crystallography
Ashi Singh, Indian Institute of Technology, Delhi

12:30 - 14:00

LUNCH & NETWORKING
G-block Ground Floor Hall Area

14:00 - 15:00

SESSION 11 Continued

14:00 - 14:15

IL 40: The Source Function as Attention Kernel
Nagamani Sukumar, Amrita Vishwa Vidyapeetham, Coimbatore, India

14:15 - 14:30

IL 41: Delving Further into the Role of π-stacking Interactions in the Solid-state Emission of Organic Crystals
Aijaz Ahmad Dar, University of Kashmir, India

14:30 - 14:40

OP 14: Role of Weak Interactions on the Structural Phase Transition in Functional Materials
Venkatesha Hatwar, Goa University, India

14:40 - 14:50

OP 15: Control of Chemical Bonds and Motif Stereochemistry on Magnetic Superexchange in Coordination Network Based Spintronics
Shounak Sarkar, Politecnico di Milano, Italy

14:50 - 15:00

OP 16: Experimental and Theoretical Investigation of F…F Interactions in Co-Crystals of 4-Cyanopyridine with X-Benzoic Acid: An Energetics and Topological Approach
Sowmya A, M S Ramaiah Institute of Technology, India

15:00 - 15:30

TEA & COFFEE BREAK
G-block Ground Floor Hall Area

15:30 - 17:00

ROUND TABLE: SUSTAINING QUANTUM CRYSTALLOGRAPHY: INCLUSION OF DIVERSE COMPLEMENTARY TECHNIQUES AND APPROACHES
Sarah L. Price, Paul Hodgkinson, Dylan Jayatilaka, Hans-beat Bürgi, and Philip Nakashima

17:00 - 17:30

CLOSING REMARKS BY THE CHAIR AND CO-CHAIRS & PRIZE DISTRIBUTIONS
Parthapratim Munshi, Dylan Jayatilaka, Tayur N. Guru Row

17:30 - 18:30

HIGH TEA & GOODBYE
G-block Ground Floor Hall Area

7:30 - 8:20

BREAKFAST
G-block First Floor Corridor

8:20 - 19:30

WORKSHOP ON QUANTUM CRYSTALLOGRAPHIC TOOLS
Venue: G-block First Floor Classroom

8:20 - 8:30

Opening Remarks and Readiness

8:30 - 10:30

Olex2/NoSpherA2/QBox
Horst Puschmann, Florian Kleemiss & Paul Niklas Ruth

10:30 - 11:00

TEA & COFFEE BREAK

11:00 - 12:30

lamaGOET/Tonto
Lorraine A. Malaspina & Dylan Jayatilaka

12:30 - 13:30

Lunch & Discussion

13:30 - 15:30

Crystal23
Silvia Casassa

15:30 - 16:00

TEA & COFFEE BREAK

16:00 - 18:00

XD2024 (Launching of the new version)
Piero Macchi & Louis Farrugia

18:00 - 18:30

Free time & Discussion

18:30 - 19:30

CrystalExplorer
Peter Spackman

19:30 - 20:00

Free time & Discussion

20:00 - 21:00

Dinner & Discussion

ORGANIZING COMMITTEE

Parthapratim Munshi

[email protected]

Shiv Nadar Institution of Eminence
Delhi NCR, India

Organizer & Chair

Tayur N. Guru Row

[email protected]

Indian Institute of Science,
Bangalore, India

Co-Organizer & Co-Chair

Dylan Jayatilaka

[email protected]

University Western Australia,
Australia

Co-Organizer & Co-Chair

LOCAL ORGANIZING COMMITTEE

Venkatesha R. Hathwar

Goa University, Goa

Sajesh P. Thomas

Indian Institute of Technology,
Delhi

Bappaditya Gole

Shiv Nadar Institution of Eminence,
Delhi NCR

Sakshi Choudhary

(Graduate student),
Indian Institute of Science Education and Research, Mohali

Biswajit Mohanty

(Graduate student),
Shiv Nadar Institution of Eminence,
Delhi NCR

Yogita Gupta

(Graduate student),
Shiv Nadar Institution of Eminence,
Delhi NCR

Ashi Singh

(Graduate student),
Indian Institute of Technology, Delhi

LOCAL ADVISORY COMMITTEE

Ananya Mukherjee

Vice Chancellor,
Shiv Nadar Institution of Eminence, Delhi NCR, India

Sanjeev Galande

Dean, SoNS,
Shiv Nadar Institution of Eminence, Delhi NCR, India

INTERNATIONAL ORGANIZING COMMITTEE

  • P. M. Dominiak (Chair, Poland)
  • L. Bucinsky (Slovakia)
  • H. Cao (USA)
  • J. Contreras-Garcia (France)
  • S. Grabowsky (Switzerland)
  • P. Nakashima (Australia)
  • L. Massa (USA)
  • C. Matta (Canada)
  • P. Munshi (India)
  • M. Pendas (Spain)
  • T. Ishigaki (Ex Officio, Japan)

  • Pierre Becker, Université Paris-Saclay (France)
  • Krzysztof Woźniak, University of Warsaw (Poland)
  • Dietmar Stalke, Universität Göttingen (Germany)
  • Sason Shaik, Hebrew University of Jerusalem (Israel)
  • Cherif F. Matta, Mount Saint Vincent University (Canada)
  • Carlo Gatti, Italian National Research Council (Italy)
  • K. B. Joshi, ML Sukhadia University (India)

ACCOMMODATION

Registration fees does not include accommodation.

For registered participants, limited accommodations are available on campus and can be booked through registration link (different kind of on campus accommodations are provided in the registration link). On spot registered participants will not be entitled for the on campus accommodation.

Eagle Nest - Visitor Hostel (VH) Room Details

Room Type Description of Room Occupancy Rate per Night (Including GST)
Studio One room with single bed and attached washroom Single - 1 person INR 2000/-
1 BHK One bedroom with a double bed (One Cot), attached washroom, hall, and a small kitchenette Double - 2 persons INR 2700/-
2BHK One bedroom with a double bed, one bedroom with single bed, attached washroom, one hall and a small kitchenette Triple - 3 persons INR 3600/-

All rooms in the Eagle Nest - Visitor Hostel are provided with an air conditioner, Wi-Fi facility, Telephony Instrument, Television, Water bottles, Electric Kettle with tea, coffee, sugar, and milk sashes. Meal and laundry charges are not included and are paid separately.

Please book directly using the hotel links provided below:

  • Radisson Blu Hotel, Greater Noida (For more details, click here)
  • Jaypee Greens Golf & Spa Resort, Greater Noida (For more details, click here)

The participants must arrange for their local transport (from and to the airport/hotel/conference venue). Assistance can be provided to book the transport.

The Shiv Nadar Institution of Eminence is a multidisciplinary, student-centric research university established in 2011 by Shiv Nadar, one of India's foremost philanthropists and a pioneer of technological revolution. It has four Schools, viz., Engineering, Natural Sciences, Humanities and Social Sciences, Management & Entrepreneurship, and the Academy of Continuing Education. We were the first university in the country to offer a 4-year multidisciplinary research degree. Today, we are continuing as trailblazers with new kinds of curriculum, championed by faculty drawn from some of the top institutions in the country and the world. With low faculty-student ratios, their in-depth attention to students lead to high levels of student success.

At Shiv Nadar, academic research is the fundamental building block of the academic mission. It includes basic and applied research, scholarly publications and creative expression, and interdisciplinary and transdisciplinary research. The University is home to excellent research infrastructure including a dedicated Research Block with an area of 63000 sq.ft. that houses major research equipments and facilities for experimental research.

Please Visit https://snu.edu.in/home/ for more details.

Please refer to the following websites to check if you require a visa to enter India: https://indianvisaonline.gov.in/

Residents of several countries can apply for an e-Visa [e-tourist Visa (ordinary)]. Please check your eligibility at the following link: https://www.indianembassycopenhagen.gov.in/page/e-visa/

Gender Balance: Actions to promote equal opportunities for male and female delegates

Please click to read the IUCr statement on gender balance and the IUCr Conference Code of Conduct.

Organizing committee of this meeting to promote women in quantum crystallography and ensure, as far as possible, equal opportunities for male and female delegates.

Taking in to account the statistics of gender balance from previous Sagamore meetings, we aim to maintain a better balance. Efforts will be made to ensure that in microsymposia at least 30-40% of the presentations will be given by women scientists.

Further, the IUCr criteria for gender balance will be applied in selecting bursaries for young scientists attending the meeting.

SUPPORTED BY

OFFICIAL SPONSORS

SPONSORSHIP PACKAGES

(Additionally, the GST is to be paid by the sponsors)

Gold

INR 4 Lakhs and above
  • Prime brand visibility
  • 20-minute slot for a presentation
  • Registration for 1 person
  • Prime booth location with two standard-size tables and two chairs

Silver

INR 2.5 Lakhs and above
  • Enhanced brand visibility
  • 50% of Registration fee for 1 person
  • Booth location with two standard-size tables and two chairs

Bronze

INR 1 Lakh and above
  • Brand visibility
  • Booth location with two standard-size tables and two chairs

Exhibitor

INR 0.75 Lakh and above
  • Booth location with two standard-size tables and two chairs

Contact us: [email protected]