Dr. Parthapratim Munshi, FRSC | Department of Chemistry


Former Head of Chemistry Department
Dr. Parthapratim
Munshi, FRSC
Department of Chemistry
School of Natural Sciences (SNS)
Block-R, Shiv Nadar University
Dadri Uttar Pradesh
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Profile Summary 

Dr. Parthapratim Munshi is an acclaimed chemical scientist and crystallographer who received his Ph.D. under the supervision of Prof. T. N. Guru Row, Solid State and Structural Chemistry Unit, Indian Institute of Science (IISc.), Bangalore. Subsequently, he carried out his postdoctoral research in the group of Prof. Mark A Spackman, University of Western Australia (2005-08). In 2008, he was awarded the prestigious Marie-Curie International Incoming Fellowship to work with Dr. Christian Jelsch as a postdoc at Nancy University,  France (2008-10). After two years, he moved to the USA to work as a research scientist at the Oak Ridge National Laboratory, TN, USA (2011-13) where he was associated with Prof. Tibor Koritsanszky and Prof. Flora Meilleur. Prof. Munshi joined Shiv Nadar Institution of Eminence Deemed to be University in 2013 as an Assistant professor. In 2018, he was promoted to Associate Professor and also assumed the role of Head of the Department. In 2021, he was promoted to Professor.

Dr. Munshi has published research papers extensively in high-standard international journals and attended several conferences and meetings around the globe to deliver lectures and present his research works. He has been named as one of the Emerging Investigators in Crystal Growth & Design-2019. In 2020, Dr. Munshi was invited by the world’s leading chemistry community through its ‘Leaders in the Field’ scheme to become a fellow of Royal Society of Chemistry (FRSC), UK, for his significant contributions to the field, particularly in the area of Organic multifunctional materials and several other notable research. Recently, he has been inducted as a Consultant to the Commission on Quantum Crystallography (QCr) of the IUCr, 2020 – 23, and a Member of the National Committee for IUCr, 2020 – 23. He also received Research Excellence Award by Shiv Nadar IoE in 2021. Currently, he is a member of UC Berkeley’s Executive Leadership Academy Alumni.

Dr. Munshi has supervised several Ph.D., Master, and B.Sc.(Research) students while at the Chemistry Department at SNU. His research group is focusing on structure-property relationships of organic multifunctional materials and hydrogen bonding studies in protein systems. His group extensively uses high-resolution X-ray and neutron diffraction methods for highly accurate structural studies. For further details please visit http://parthapratimmunshi.weebly.com/.

Educational Qualifications 
Indian Institute of Science (IISc.), Bengaluru, Karnataka
North Bengal University, Siliguri, Darjeeling
Work Experience 
Department of Chemistry, School of Natural Sciences, Shiv Nadar University, Delhi-NCR
I currently work here
Department of Chemistry, School of Natural Sciences, Shiv Nadar University
Associate Professor,
Department of Chemistry, School of Natural Sciences, Shiv Nadar University, Delhi-NCR
Assistant Professor ,
Department of Chemistry, School of Natural Sciences, Shiv Nadar University, Delhi-NCR
Postdoctoral Research Scientist ,
Neutron Scattering Sciences Directorate, Oak Ridge National Laboratory.,
Marie Curie Research Fellow ,
CRM2, CNRS, Nancy University 1,
Nancy, France.
Teaching & Research Interests: 

Research Interests:

  • High-resolution single-crystal X-ray and Neutron diffractions, Crystal growth & design, Multifunctional organic materials chemistry, Quantum crystallography (Charge density analysis)
  • Organic optical, semiconductor, ferroelectric, piezoelectric & pyroelectric, and thermo-responsive materials (negative thermal expansion), biologically active molecules and polymorphism.
  • Protein charge density analysis, Protein-ligand interactions, Molecular docking and Bioinformatics.

Teaching Interests:

Thermodynamics, Chemical Equilibrium, Chemical Kinetics, Solid State Chemistry, Chemical Crystallography and Structural Biology, Drug Design, Research Methodology

Conferences (Select): 

49th National Seminar on Crystallography, Jammu University, 28 - 30 November 2022.

Distinguished Lecture on Quantum Crystallography and Complementary Field, Department of Chemistry, University of Warsaw, Poland, 27 October 2022.

3rd International Conference on Crystal Engineering: From Molecule to Crystal [CEFMC-2022], Pahalgam Kashmir, 31 August 2022 – 02 September 2022.

48th National Seminar on Crystallography, IIT Roorkee, 25-27 November 2021.

RSC – IISER Desktop (online) Seminar with CrystEngComm, 22 - 23 September 2021.

25th Congress & General Assembly of the International Union of Crystallography, Prague, Czech Republic, 14 – 22 August 2021.

Second Discussion (Virtual) Meeting on Quantum Crystallography: expectations and reality, Italy, 9 – 12 September 2021

International Union of Crystallography (IUCr)’s Sagamore XIX Conference on Quantum Crystallography, 8-13 July 2018, Halifax, Canada.

Quantum Crystallography Online Meeting (QCrOM2020), 26th – 29th August 2020, France.

Asian Crystallographic Association (AsCA2019), 17 – 20 December 2019, Singapore.

International Union of Crystallography (IUCr)’s Sagamore XIX Conference on Quantum Crystallography, 8-13 July 2018, Halifax, Canada.

24th Congress & General Assembly of the International Union of Crystallography, 21 – 28 August 2017, Hyderabad, India

1st South East Asia Conference on Crystal Engineering (SEACCE), September 5-7, 2016,  Colombo, Sri Lanka.

13th Asian Conference of the Asian Crystallographic Association, 5 – 8 Dec 2015, Kolkata, India.

3rd Congress & General assembly of the International Union of Crystallography, 5-12 August 2014, Montreal, Quebec, Canada

National Seminar on Crystallography, 2013, New Delhi; 2014, IISER-Mohali; 2016, IISER-Pune; 2018, NIMHANS-Bengaluru

American Crystallographic Association meeting, New Orleans, 2011, LA, USA.

Gordon Research Conference on Electron Distribution & Chemical Bonding, 2004, 2007 and 2010MA, USA.

European Crystallographic Meeting,2009, Istanbul, Turkey.

Congress and General Assembly of the International Union of Crystallography, 2008, Osaka, Japan.

Sagamore meeting, 2006, Warwickshire, UK.

Congress and General Assembly of the International Union of Crystallography, 2002, Geneva, Switzerland.


Member of UC Berkeley’s Executive Leadership Academy (ELA) Alumni.


Research Excellence Award from Shiv Nadar University at the Circle of Excellence award ceremony


Member of the Commission on Quantum Crystallography (QCr) of the International Union of Crystallography (IUCr)


Chairperson for the Sagamore XX conference of the IUCr Commission of Quantum Crystallography to be held in India in 2024


Regional coordinator of Kishore Vaigyanik Protsahan Yojana (KVPY) – 2020 interview for Delhi -2 centre at Shiv Nadar University.


Member of National Committee for International Union of Crystallography (IUCr),


Emerging Investigators in Crystal Growth & Design – An ACS journal.


Research grant from SERB-DST (CRG), India Govt.


Research grant from SERB-DST (EMR), India Govt.


Significant Event Award from ORNL for exceptional teamwork for the commissioning of IMAGINE beam line.


Postdoctoral fellowship at the Oak Ridge National Laboratory/Middle Tennessee State University, USA


Member of Marie-Curie Alumni Association


Qualified in a global competition among young scientists worldwide to participate in the 60th Meeting of Nobel Laureates at Lindau, Germany


Member of National Program Committee of Indian Crystallography Association


Member of Indian Institute of Science Alumni Association


Marie Curie International Incoming Fellowship within the 7th European Community Framework Programme, France


Postdoctoral fellowship at the University of Western Australia, WA, Perth, Australia


Senior Research Fellowship, Council of Scientific and Industrial Research


Junior Research Fellowship, Indian Institute of Science, Bangalore


Associate Editor of MOJ Bioorganic & Organic Chemistry published by MedCrave


Science Reviewer of the Oak Ridge National Laboratory’s (ORNL) Neutron Sciences Directorate, USA


Reviewer of Science & Engineering Reaecrh Board (SERB) projects, Govt. of India

Scholarly Activity

Journal Publications (accepted or published)

(Google Scholar: http://scholar.google.com/citations?user=F-FtnEQAAAAJ)

  • L. Singla, A. Kumar, C. Robertson*, P. Munshi*, A. R. Choudhury*, "Investigation of C-F•••F-C interactions using experimental and theoretical charge density analyses" ​Crystal Growth & Design, 2022, ​Just Accepted.
  • A. Kumar, B. Mohanty, P. Munshi* "Probing Diversity in Binding Affinities of Polymorphs of an Anticancer Agent against Human γ-Enolase - A Quantum Crystallographic Perspective" Crystal Growth & Design, 2022https://doi.org/10.1021/acs.cgd.2c01190  
  • A. Kumar, J. Chauhan, K. Dubey, S. Sen, P. Munshi*, "Tuning Potency of Bioactive Molecules via Polymorphic Modifications: A Case Study" Mol. Pharmaceutics, 2022, 19(3), 1008–1018.
  • S. Dutta, Vikas, T. Vijayakanth, R. Boomishankar and P. Munshi*, “Ferroelectricity and negative thermal expansion in a purely organic single-component material.ACS Appl. Electron. Mater. 2021, 3(8), 3633–3640.
  • S. K. Mandal and P. Munshi* Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic ApproachMolecules 202126(9), 2605-2621.
  • S. Dutta and P. Munshi* ​"Unusual Anisotropic Thermal Expansions with Reversible Axial Switching and Record-Wide Thermal Hysteresis in Single-Component Purely Organic Molecular Crystals" ​J. Phys. Chem. C., 2020, Accepted, Nov 16.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic ApproachesCrystEngComm2020, 22, 4363-4373. (Note: This work has been published as a “Cover page” in CrystEngComm, 2020, 22, 4501)
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun. 2019, 55, 9610-9613. (Note: This work has been published as a “Cover page” in Chem. Commun. 2019, 55, 9572)
  • K. K. Jha, Y. Yadav, S. B. Srivastava, D. Chakraborty, P. Johari, S. P. Singh and P. Munshi* "Structure-property Relationship in an Organic Semiconductor: Insights from Energy Frameworks, Charge Density Analysis and Diode Device" Cryst. Growth Des. 2019, 19(5), 3019-3029.
  • K. K. Jha, S. Dutta, S. Sar, S. Sen, and P. Munshi* “Harnessing Sun for Catalyst and Sensitizer Free Regio- and Stereo-selective [2+2] Cycloaddition” Tetrahedron, 2018, 74(51), 7326-7334.
  • D. Jayatilaka*, K. K. Jha and P. Munshi* “Is it reasonable to obtain information on the polarizability and hyperpolarizability from the electron density?” Aust. J. Chem. 2018, 71(4) 295-306.
  • K. K. Jha, S. Dutta, and P. Munshi* "Concomitance, reversibility and switching ability of centrosymmetric and non-centrosymmetric crystal forms: Polymorphism in an organic NLO material" Cryst. Growth Des., 2018 18(2), 1126–1135.
  • S. K. Mandal, P. Saha, P. Munshi,* N. Sukumar “Exploring Potent Ligand for Proteins: Insights from Knowledge-based Scoring Functions and Molecular Interaction Energies”, Structural Chemistry, 2017, 28(5), 1537-1552.
  • K. K. Jha, S. Dutta, V. Kumar, P. Munshi*, “Isostructural Polymorphs: Qualitative Insights from Energy Frameworks” CrystEngComm2016, 18, 8497-8505.
  • C. Shaikh, D. S. Ranade, S. Thorat, A. Maity, P. P. Kulkarni, R. G. Gonnade, P. Munshi and N. T. Patil "Highly Emissive Organic Solids with Remarkably Broad Color Tunability Based on N, C-Chelate Four-Coordinate Organoborons”. ChemComm, 201551, 16115.
  • P. Munshi, E. Snell, M. van der Woerd, R. Judge, D. Myles, Z. Ren, F. Meilleur, “Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant.” Acta Crystallographica Section D, 2014, 70, 414.
  • P. Munshi, C. B. Stanley, S. Ghimire-Rijal, Xun Lu, D. A. Myles, M. J. Cuneo, “Molecular detail of ligand selectivity determinants in a promiscous b-glucan periplasmic binding protein.” BMC Structural Biology, 2013, 13:18.
  • P. Munshi, S-L. Chung, M. P. Blakely, K. Weiss, D. A. Myles, F. Meilleur, “Rapid visualization of hydrogen positions in protein neutron crystallography structures.” Acta Crystallographica Section D, 2012, 63, 35 - 41.
  • P. Munshi, C. Jelsch, V. Hathwar, T. N. Guru Row, “Experimental and Theoretical Charge Density Analyses on Polymorphic Structures: A Case of Coumarin 314 dye.” Crystal Growth & Design, 10(4), 2010, 1516-1526.
  • D. Jayatilaka, P. Munshi, M. Turner, J. A. K. Howard, M. A. Spackman, “Refractive indices for molecular crystals from the response of X-ray constrained Hartree–Fock wavefunctions.” Physical Chemistry Chemical Physics, 11, 2009, 7209-7218.
  • P. Munshi, A. O. Madsen, M. A. Spackman, S. Larsen and R. Destro, “Estimated hydrogen anisotropic displacement parameters: A comparison between different methods and with neutron diffraction results.” Acta Crystallographica Section A, 64, 2008, 465-475.                         
  • M. A. Spackman, P. Munshi and B. Dittrich, “Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data.” (mini review). A European Journal of Chemical Physics and Physical Chemistry, 8, 2007, 2051-2063.
  • P. Munshi, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and T. S. Cameron, Investigation of Inter-ion Interactions in N,N,N'N'-tetramethylethlenediammonium dithiocyanate via Experimental and Theoretical Charge Density Studies. The Journal of Physical Chemistry A, 111(32), 2007, 7888-7897.
  • P. Munshi & T. N. Guru Row, Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-acetylcoumarin, A Case of Packing Polymorphism. Crystal Growth & Design, 6(3), 2006, 708-718.
  • P. Munshi & T. N. Guru Row, Charge Density Based Classification of Intermolecular Interactions in Molecular Crystals. CrystEngComm, 7(100), 2005, 608-611.
  • P. Munshi & T. N. Guru Row, Exploring the Lower Limit in Hydrogen Bonds: Analysis of Weak C-H...O and C-H...p Interactions in Substituted Coumarins from Charge Density Analysis. The Journal of Physical Chemistry A, 109(4), 2005, 659-672.
  • P. Munshi, K. N. Venugopala, B. S. Jayashree, and T. N. Guru Row, Concomitant Polymorphism in 3-acetylcoumarin: Role of Weak C-H…O and C-H…p Interactions. (Communn). Crystal Growth & Design, 4(6), 2004, 1105-1107.