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

SAGAMORE 2024

IUCR Commission on QUANTUM CRYSTALLOGRAPHY

DATE: 10-15 NOVEMBER 2024

Venue: Shiv Nadar Institution of Eminence, Delhi NCR

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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

15 October 2024

Abstract Submission
Closing

15 May 2024

Regisration
Started

30 June 2024

Early Bird
Registration Closing

To be notified

Student Bursary
Application Details

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. Dr. Dietmar Stalke

Göttingen University, Germany

KEYNOTE SPEAKERS
1

Dr. Xiaoping Wang

Oak Ridge National Laboratory, USA

1

Prof. Hans-beat Bürgi

University of Zurich, Switzerland

1

Dr. Simon Grabowsky

University of Bern, Switzerland

Registration# Type
(Deadline)
Early Bird
(30 June)
Regular
(15 August)
Late
(15 October)
On spot
Regular faculty INR 34200 INR 42500 INR 50750 INR 59000
Students * INR 12700 INR 15000 INR 16800 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.

*Applicable to Post-doc/Ph.D./PG/Project fellow

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. Participants can opt for it using the registration link.

We are expecting to have limited bursaries for Ph.D. and PG students, please stay tuned and revisit this space for the announcement.

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.

Poster dimensions will be posted here soon.

TENTATIVE SCHEDULE

15:00 - 18:00

REGISTRATION

18:00 - 18:20

WELCOME ADDRESS BY THE CONFERENCE CHAIR, CO-CHAIRS AND CHAIR OF QCR COMMISSION
P. Munshi, D. Jayatilaka, T. N. Guru Row, P. Dominiak

18:20 - 19:15

SESSION 1: ULTRAFAST SCIENCE

18:20 - 18:25

INTRODUCTORY REMARKS BY THE SESSION CHAIR

18:25 - 19:15

PL 1: By Dr. Junko Yano, Lawrence Berkeley National Lab, USA

19:15 - 21:30

WELCOME RECEPTION
Venue:

8:00 - 9:00

BREAKFAST

9:00 - 12:40

SESSION 2: A PLETHORA OF EXPERIMENTAL CRYSTALLOGRAPHIC PROBES

9:00 - 9:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 2: By Prof. Hosea Nelson, California Institute of Technology, USA

9:55 – 10:30

KN 1: By Dr. Xiaoping Wang, Oak Ridge National Laboratory, USA

10:30 - 11:00

TEA & COFFEE BREAK

11:00 - 11:20

IL 1:

11:20 - 11:40

IL 2:

11:40 - 12:00

IL 3:

12:00 - 12:20

IL 4:

12:20 - 12:40

IL 5:

12:40 - 14:00

PHOTO SESSION, LUNCH & NETWORKING

14:00 - 15:30

SESSION 3: Enzyme mechanisms: Quantum and complementary approaches

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 6:

14:25 - 14:45

IL 7:

14:45 - 15:05

IL 8:

15:05 - 15:20

OP 1:

15:20 - 15:35

OP 2:

15:35 - 16:00

TEA & COFFEE BREAK

16:00 - 18:00

SESSION 4: CHEMICAL BONDING, NON-COVALENT INTERACTIONS, AND INTERACTION ENERGIES

16:00 - 16:05

INTRODUCTORY REMARKS BY SESSION CHAIR

16:05 - 16:25

IL 9:

16:25 - 16:45

IL 10:

16:45 - 17:05

IL 11:

17:05 - 17:25

IL 12:

17:25 - 17:45

IL 13:

17:45 - 18:00

OP 3:

18:00 - 19:00

BREAK & PRESENTATIONS FOR SAGAMORE XXI

19:00 - 20:00

DINNER

20:00 - 21:30

POSTER SESSION 1

8:00 - 9:00

BREAKFAST

9:00 - 12:30

SESSION 5: NUCLEAR DYNAMICS AND FORCE FIELDS

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 3:

9:55 - 10:30

KN 2: By Prof. Hans-beat Bürgi, University of Zurich, Switzerland

10:30 - 11:00

TEA & COFFEE BREAK

11:00 - 11:20

IL 14:

11:20 - 11:40

IL 15:

11:40 - 12:00

IL 16:

12:00 - 12:20

IL 17:

12:20 - 12:35

OP 4:

12:35 - 14:00

LUNCH & POSTER SESSION 2 (13.00 - 14.00)

14:00 - 15:40

SESSION 6: Materials properties and quantum crystallography

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 18:

14:25 - 14:45

IL 19:

14:45 - 15:05

IL 20:

15:05 - 15:25

IL 21:

15:25 - 15:40

OP 6:

15:40 – 16:00

TEA & COFFEE BREAK

16:00 - 16:20

IL 22:

16:20 - 16:40

IL 23:

16:40 - 17:10

OP 7:

17:10 - 17:30

VOTING FOR SAGAMORE XXI

17:30 – 18:00

BREAK

18:00 - 22:00

BANQUET
VENUE:

8:00 - 9:00

BREAKFAST

9:00 - 12:40

SESSION 7: PREDICTIONS: CRYSTAL STRUCTURE & MATERIAL PROPERTIES

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 4: By Prof. Sarah (Shally) L Price, University College London, UK

9:55 - 10:30

KN 3:

10:30 - 11:00

TEA & COFFEE BREAK

11:00 - 11:20

IL 24:

11:20 - 11:40

IL 25:

11:40 - 12:00

IL 26:

12:00 - 12:20

IL 27:

12:20 - 12:40

IL 28:

12:40 - 14:00

LUNCH & POSTER SESSION 3 (13:00 - 14:00)

14:00 - 15:40

SESSION 8: Quantum refinement of protein structures

14:00 - 14:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

14:05 - 14:25

IL 29:

14:25 - 14:45

IL 30:

14:45 - 15:05

IL 31:

15:05 - 15:25

IL 32:

15:25 - 15:40

OP 8:

15:40 - 16:00

TEA & COFFEE BREAK

16:00 - 18:00

SESSION 9: Quantum crystallographic tools and their advancements

16:00 - 16:05

INTRODUCTORY REMARKS BY THE SESSION CHAIR

16:05 - 16:25

IL 33:

16:25 - 16:45

IL 34:

16:45 - 17:05

IL 35:

17:05 - 17:25

IL 36:

17:25 - 17:45

IL 37:

17:45 - 18:00

OP 9:

18:00 - 19:00

BREAK

19:00 - 20:00

DINNER & NETWORKING

20:00 - 22:00

SESSION 10: Open meeting of the IUCr Commission on Quantum Crystallography

7:30 - 8:00

BREAKFAST

8:00 - 19:30

CONFERENCE TOUR TO TAJ MAHAL AND AGRA FORT & NETWORKING

19:30 - 21:00

DINNER

8:00 - 9:00

BREAKFAST

9:00 - 13:00

SESSION 11: Chemical bonding, non-covalent interactions and topological analyses

9:00 - 9:05

REMARKS BY THE SESSION CHAIR

9:05 - 9:55

PL 5: By Prof. Dr. Dietmar Stalke, Göttingen University, Germany

9:55 - 10:30

KN 4: By Dr. Simon Grawosky, University of Bern, Switzerland

10:30 - 11:00

TEA & COFFEE BREAK

11:00 - 11:20

IL 38:

11:20 - 11:40

IL 39:

11:40 - 12:00

IL 40:

12:00 - 12:20

IL 41:

12:20 - 12:40

IL 42:

12:40 - 12:55

OP 10:

12:55 - 14:00

LUNCH & NETWORKING

14:00 - 15:30

ROUND TABLE: ADVANCING QUANTUM CRYSTALLOGRAPHY: STRONGER INTERACTIONS BETWEEN EXPERIMENTALISTS AND THEORETICIANS?

15:30 - 16:00

CLOSING REMARKS BY THE CHAIR AND CO-CHAIRS & PRIZE DISTRIBUTIONS
P. Munshi, D. Jayatilaka, T. N. Guru Row

16:00 - 16:30

HIGH TEA & GOODBYE

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)

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 , 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 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. Please check your eligibility at the following link: https://www.indianembassycopenhagen.gov.in/page/e-visa/

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.

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
  • Early-bird 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 early-bird 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

OFFICIAL SPONSORS

Contact us: [email protected]