Saptarsi Mondal Ultrafast & multidimensional IR spectroscopy
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Saptarsi Mondal

Postdoctoral Researcher

Department of Chemistry, The University of Texas at Austin
Austin, Texas, United States
saptam@utexas.edu sapta.chem.iitb@gmail.com
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Last updated 2026-07

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Research appointments

Nov 2024 – Present

Postdoctoral Researcher, The University of Texas at Austin

Department of Chemistry · Austin, Texas, United States · Advisor: Prof. Carlos R. Baiz

  • Showed by SEIRAS and constant-potential molecular dynamics that DMSO acts as a hydrogen-bond network disruptor at gold electrodes, and that negative potential drives its enrichment at the surface.
  • Used surface-enhanced 2D IR to show that small cosolvent fractions accelerate interfacial hydrogen-bond exchange from roughly 10 ps to about 2 ps, while the same mixtures slow bulk water dynamics.
  • Demonstrated with broadband 2D IR that a tunable indium tin oxide metasurface accelerates the vibrational dynamics of an overlying polymer by up to sevenfold and opens directional energy-transport channels.
  • Co-authoring an invited Chemical Reviews article on two-dimensional infrared spectroscopy in complex environments, and a book chapter on DMSO interactions.

Nov 2023 – Nov 2024

Postdoctoral Researcher, University of Michigan

Department of Chemistry · Ann Arbor, Michigan, United States · Advisor: Prof. Kevin J. Kubarych

  • Applied 2D IR spectroscopy to enzyme-catalysed reactions under vibrational light–matter strong coupling inside Fabry–Pérot microcavities.
  • Developed the cavity-based experimental grounding that now underpins my proposed work on polaritonic control of reactivity.

Mar 2019 – Aug 2023

Research Professor, Korea University

Center for Molecular Spectroscopy and Dynamics, Institute for Basic Science · Seoul, South Korea · Advisor: Prof. Minhaeng Cho

  • Mapped the adsorbed water structure on highly and poorly biocompatible acrylate polymers, showing that distinct fast and slow water populations track antifouling behaviour. Selected as the journal cover.
  • Recast the wobbling-in-a-cone model by separating a probe's internal bond rotation from whole-molecule diffusion, giving accurate free-volume element sizes in amorphous polymers.
  • Showed that nanoconfinement within a polypropylene separator restructures lithium solvation, raising contact ion pairing and suppressing ionic conductivity by roughly eightfold to ninefold.
  • Developed discrete wavelet transform denoising to improve signal-to-noise in ultrafast spectroscopy.
  • Resolved hidden Fermi resonances in azide-derivatised amino acids by 2D IR, producing design guidance for cleaner biological infrared probes.

Aug 2018 – Sep 2018

Visiting Researcher, RIKEN

Molecular Spectroscopy Laboratory · Wako, Saitama, Japan · Advisor: Prof. Tahei Tahara

  • Studied DNA-induced reorganisation of water at lipid membrane interfaces by heterodyne-detected vibrational sum frequency generation spectroscopy.

Education

2013 – 2018

PhD, Chemistry, Indian Association for the Cultivation of Science

Kolkata, India · Awarded by University of Calcutta

Thesis advisor: Prof. Prashant Chandra Singh

Thesis: Role of Weak Noncovalent Interactions in the Solvation and Photophysical Properties of Atmospherically and Biologically Relevant Molecules

2011 – 2013

MSc, Physical Chemistry, Indian Institute of Technology Bombay

Mumbai, India · CGPA 8.44

2008 – 2011

BSc (Hons.), Chemistry, Ramakrishna Mission Vidyamandira

Belur Math, West Bengal, India · 67.13%

Publications 28 peer-reviewed

Published

  1. Mondal, S.; Lee, E.; Baiz, C. R. Dimethyl Sulfoxide (DMSO) Interactions with Water, Organic Solvents, and Biomolecules: A Molecular Perspective AAPS Adv. Pharm. Sci. Ser. · 2026 doi:10.1007/978-3-032-19256-1_2
  2. Starkey, C. B.; Mondal, S.; Baiz, C. R. Machine learning potentials accurately reproduce vibrational dynamics in complex environments J. Chem. Phys. · 2025 · 163 (23), 234116 doi:10.1063/5.0306072
  3. Mondal, S.; Al-Mualem, Z. A.; Cardenas, A. E.; Hazarika, S.; Lee, H.; Ren, H.; Baiz, C. R. Tuning Hydrogen Bond Networks at Gold Electrodes: A Study of Potential-Dependent DMSO−Water Interfaces ACS Electrochem. · 2025 · 1 (5), 709–717 doi:10.1021/acselectrochem.4c00175
  4. Palchowdhury, S.; Mondal, S.; Kwak, K.; Cho, M. Recasting the wobbling-in-a-cone model for the rotational anisotropy of phenylselenocyanate in poly(methyl methacrylate): Effect of internal bond rotation and polymer segmental motion J. Chem. Phys. · 2024 · 161 (21), 214112 doi:10.1063/5.0239896
  5. Chakraborty, D.; Chatterjee, R.; Mondal, S.; Das, S. K.; Cho, M.; Bhaumik, A. Construction of N-rich Aminal-Linked Porous Organic Polymers for Outstanding Precombustion CO2 Capture and H2 Purification: A Combined Experimental and Theoretical Study ACS Appl. Mater. Interfaces · 2023 · 15 (41), 48326–48335 doi:10.1021/acsami.3c11732
  6. Mondal, S. Charge-Shifted Weak Noncovalent Interactions in the Atmospherically Important OCS Microhydrates J. Phys. Chem. A · 2023 · 127 (15), 3293–3304 doi:10.1021/acs.jpca.2c07670 (Selected as the front cover of the issue)
  7. Boruah, T.; Das, S. K.; Kumar, G.; Mondal, S.; Dey, R. S. Dual active sites in a triazine-based covalent organic polymeric framework promoting oxygen reduction reaction Chem. Commun. · 2022 · 58, 5506–5509 doi:10.1039/D2CC00865C
  8. Sahu, P. K.; Kim, J.; Park, K.; Kim, E.; Mondal, S.; Kwak, K.; Cho, M. Solvation structure of phosphonium ionic liquid/CH3SCN mixture as electrolytes for Li-ion batteries: Infrared pump-probe spectroscopic studies Bull. Korean Chem. Soc. · 2022 · 43 (2), 215–221 doi:10.1002/bkcs.12463
  9. Mondal, S.; Kang, J.; Park, K.; Lim, J. M.; Ha, J.; Kwak, K.; Cho, M. Adsorbed Water Structure on Acrylate-Based Biocompatible Polymer Surface J. Phys. Chem. Lett. · 2021 · 12 (38), 9275–9282 doi:10.1021/acs.jpclett.1c02491 (Selected as the journal cover)
  10. Chowdhury, A.; Das, S. K.; Mondal, S.; Ruidas, S.; Chakraborty, D.; Chatterjee, S.; Bhunia, M. K.; Chandra, D.; Hara, M.; Bhaumik, A. Sulfur-containing nitrogen-rich robust hierarchically porous organic polymer for adsorptive removal of mercury: experimental and theoretical insights Environ. Sci.: Nano · 2021 · 8, 2641–2649 doi:10.1039/D1EN00448D
  11. Das, S. K.; Shyamal, S.; Das, M.; Mondal, S.; Chowdhury, A.; Chakraborty, D.; Dey, R. S.; Bhaumik, A. Metal-Free Pyrene-Based Conjugated Microporous Polymer Catalyst Bearing N- and S-Sites for Photoelectrochemical Oxygen Evolution Reaction Front. Chem. · 2021 · 9, 803860 doi:10.3389/fchem.2021.803860
  12. Nandy, T.; Mondal, S.; Singh, P. C. Fluorine induced conformational switching and modulation in photophysical properties of 7-fluorotryptophan: Spectroscopic, quantum chemical calculation and molecular dynamics simulation studies J. Photochem. Photobiol. · 2020 · 3, 100011 doi:10.1016/j.jpap.2020.100011
  13. Park, J. Y.; Mondal, S.; Kwon, H.; Sahu, P. K.; Han, H.; Kwak, K.; Cho, M. Effect of isotope substitution on the Fermi resonance and vibrational lifetime of unnatural amino acids modified with IR probe: A 2D-IR and pump-probe study of 4-azido-L-phenyl alanine J. Chem. Phys. · 2020 · 153 (16), 164309 doi:10.1063/5.0025289
  14. Park, J. Y.; Kwon, H.; Mondal, S.; Han, H.; Kwak, K.; Cho, M. Two-dimensional IR spectroscopy reveals a hidden Fermi resonance band in the azido stretch spectrum of β-azidoalanine Phys. Chem. Chem. Phys. · 2020 · 22 (34), 19223–19229 doi:10.1039/D0CP02693J
  15. Das, S.; Chatterjee, S.; Mondal, S.; Modak, A.; Chandra, B. K.; Das, S.; Nessim, G. D.; Majee, A.; Bhaumik, A. Thiadiazole containing N- and S-rich highly ordered periodic mesoporous organosilica for efficient removal of Hg(ii) from polluted water Chem. Commun. · 2020 · 56 (28), 3963–3966 doi:10.1039/D0CC00407C
  16. Nandy, T.; Mondal, S.; Singh, P. C. Solvent organization around the noncanonical part of tyrosine modulates its fluorescence properties Phys. Chem. Chem. Phys. · 2019 · 21, 6042–6050 doi:10.1039/C8CP06410E
  17. Mondal, S.; Chatterjee, S.; Mondal, S.; Bhaumik, A. Thioether-Functionalized Covalent Triazine Nanospheres: A Robust Adsorbent for Mercury Removal ACS Sustain. Chem. Eng. · 2019 · 7 (7), 7353–7361 doi:10.1021/acssuschemeng.9b00567
  18. Mondal, S.; Biswas, B.; Nandy, T.; Singh, P. C. Understanding the Role of Hydrophobic Terminal in the Hydrogen Bond Network of the Aqueous Mixture of 2,2,2-Trifluoroethanol: IR, Molecular Dynamics, Quantum Chemical as Well as Atoms in Molecules Studies J. Phys. Chem. B · 2018 · 122 (25), 6616–6626 doi:10.1021/acs.jpcb.8b04365
  19. Das, S. K.; Bhanja, P.; Kundu, S. K.; Mondal, S.; Bhaumik, A. Role of Surface Phenolic-OH Groups in N-Rich Porous Organic Polymers for Enhancing the CO2 Uptake and CO2/N2 Selectivity: Experimental and Computational Studies ACS Appl. Mater. Interfaces · 2018 · 10 (28), 23813–23824 doi:10.1021/acsami.8b05849
  20. Mondal, S.; Chatterjee, S.; Halder, R.; Jana, B.; Singh, P. C. Role of Dispersive Fluorous Interaction in the Solvation Dynamics of the Perfluoro Group Containing Molecules J. Phys. Chem. B · 2017 · 121 (32), 7681–7688 doi:10.1021/acs.jpcb.7b03420
  21. Mondal, S.; Biswas, B.; Nandy, T.; Singh, P. C. Hydrophobic fluorine mediated switching of the hydrogen bonding site as well as orientation of water molecules in the aqueous mixture of monofluoroethanol: IR, molecular dynamics and quantum chemical studies Phys. Chem. Chem. Phys. · 2017 · 19 (36), 24667–24677 doi:10.1039/C7CP04663D
  22. Mondal, S.; Biswas, B.; Sarkar, S.; Singh, P. C. A combined molecular dynamics simulation, atoms in molecule analysis and IR study on the biologically important bulk fluorinated ethanols to understand the role of weak interactions in their cluster formation and hydrogen bond network J. Mol. Liq. · 2017 · 240, 708–716 doi:10.1016/j.molliq.2017.05.098
  23. Biswas, B.; Mondal, S.; Singh, P. C. Combined Molecular Dynamics, Atoms in Molecules, and IR Studies of the Bulk Monofluoroethanol and Bulk Ethanol To Understand the Role of Organic Fluorine in the Hydrogen Bond Network J. Phys. Chem. A · 2017 · 121 (6), 1250–1260 doi:10.1021/acs.jpca.6b12770
  24. Mondal, S.; Halder, R.; Biswas, B.; Jana, B.; Singh, P. C. Solvent organization around the perfluoro group of coumarin 153 governs its photophysical properties: An experimental and simulation study of coumarin dyes in ethanol as well as fluorinated ethanol solvents J. Chem. Phys. · 2016 · 144 (18), 184504 doi:10.1063/1.4948704
  25. Biswas, B.; Mondal, S.; Singh, P. C. Role of Hydrogen Bond in the Solvation Behavior of the Binary Mixtures Containing Fluorocarbon Alcohol Molecules and Chloroform: An Experimental and Theoretical Study ChemistrySelect · 2016 · 1 (18), 5607–5617 doi:10.1002/slct.201601118
  26. Mondal, S.; Teja, A. U.; Singh, P. C. Theoretical Study on the Microhydration of Atmospherically Important Carbonyl Sulfide in Its Neutral and Anionic Forms: Bridging the Gap between the Bulk and Finite Size Microhydrated Cluster J. Phys. Chem. A · 2015 · 119 (15), 3644–3652 doi:10.1021/acs.jpca.5b01638
  27. Mondal, S.; Teja, A. U.; Singh, P. C. Effect of microhydration on the atmospherically important metastable carbonyl sulfide anion: Structure, energetic, and infrared study Int. J. Quantum Chem. · 2015 · 115 (12), 785–795 doi:10.1002/qua.24902
  28. Mondal, S.; Singh, P. C. Noble gas induced surprisingly higher stability of π hydrogen bonded complex: comparative study of hydrogen bonded complexes of HKrCCH and HCCH with H2O, NH3, CH3OH and CH3NH2 RSC Adv. · 2014 · 4 (40), 20752–20760 doi:10.1039/C3RA47427E

Preprints and manuscripts under review

  1. Mondal, S.; Jeon, J.; Cho, M.; Baiz, C. R. Two-Dimensional Infrared Spectroscopy in Complex Environments Chem. Rev. · 2026 [Under revision]
  2. Mondal, S.; Chen, K.; Baiz, C. R. Cosolvents Disrupt Water H-bond Networks at Electrode Interfaces: a Surface-enhanced 2D IR Study ChemRxiv · 2025 [Under review]
  3. Mondal, S.; Montillo, S.; Berry, M. W.; Paul, T.; Roberts, S. T.; Truskett, T. M.; Milliron, D. J.; Huo, P.; Baiz, C. R. Plasmon-Accelerated Structural Dynamics, Vibrational Coherence, and Energy Transport in Amorphous Poly(methyl methacrylate) Coupled to a Lossy Plasmonic Cavity Under review · 2025 [Under review]
  4. Mondal, S.; Palchowdhury, S.; Park, K.; Sung, S.; Lee, Y. H.; Kwak, K.; Cho, M. Revisiting the Ultrafast IR Spectroscopic Study of Free Volume Elements in Polymers: The Role of Probe Molecule's Internal Rotational Fluctuation in Anisotropy Decays ChemRxiv · 2023 [Preprint]

Manuscripts in preparation

  1. Mondal, S.; Kwak, K.; Cho, M. Electrolyte Swelling Dynamics on Polymer Separator Membrane Revealed by ATR-FTIR, 2D-correlation Spectroscopy and Quantum Chemical Calculations
  2. Mondal, S.; Park, K.; Palchowdhury, S.; Kwak, K.; Cho, M. Battery Separators as Active Regulators of Ion Solvation and Transport

Awards, recognition and scholarships

2018

Best Poster Award in Photochemistry

Award · 14th International DAE-BRNS Biennial Conference on Radiation and Photochemistry, Bhabha Atomic Research Centre

Awarded for a poster presented at the biennial national conference on radiation and photochemistry, held in January 2018.

2021

Journal cover selection, Journal of Physical Chemistry Letters

Recognition · American Chemical Society

"Adsorbed Water Structure on Acrylate-Based Biocompatible Polymer Surface" was selected for the cover of volume 12, issue 38.

2023

Front cover selection, Journal of Physical Chemistry A

Recognition · American Chemical Society

The single-author article "Charge-Shifted Weak Noncovalent Interactions in the Atmospherically Important OCS Microhydrates" was selected as the front cover of volume 127, issue 15, and published as part of the journal's "Early-Career and Emerging Researchers in Physical Chemistry" special issue.

2013

Graduate Aptitude Test in Engineering (GATE)

National examination · Indian Institutes of Technology and Indian Institute of Science

Qualified in the national postgraduate entrance examination.

2012–2013

CSIR–UGC National Eligibility Test

National examination · Council of Scientific and Industrial Research / University Grants Commission

Ranked 74 in the December 2012 examination and 81 in the June 2013 examination, qualifying for national research fellowship eligibility.

2011

Joint Admission Test for MSc (JAM)

National examination · Indian Institutes of Technology

Ranked 73 nationally, leading to admission to IIT Bombay.

2008

INSPIRE Scholarship

Scholarship · Department of Science and Technology, Government of India

Awarded by the Government of India for performance in the Class 12 examination, supporting undergraduate study in the natural sciences.

Peer review and professional service

2024

Angewandte Chemie

Journal peer review · Wiley-VCH / German Chemical Society · 1 documented review

2021

The Journal of Chemical Physics

Journal peer review · AIP Publishing · 1 documented review

Reviewed an original manuscript and its subsequent revision, in the area of multidimensional electronic spectroscopy of vibrational coherence.

2019–2023

Center for Molecular Spectroscopy and Dynamics, Korea University

Institutional service

Contributed to the running of the centre's ultrafast spectroscopy laboratories during a research professorship, including instrument maintenance, method development shared across projects, and day-to-day guidance of graduate students working on the shared 2D IR spectrometers.

2017–2018

Department of Spectroscopy, Indian Association for the Cultivation of Science

Institutional service

Presented in the departmental physical chemistry and spectroscopy seminar series on two occasions during doctoral study, and supported the running of the series.

Conference presentations and seminars

2025

78th International Symposium on Molecular Spectroscopy

Oral presentation · University of Illinois Urbana-Champaign · Urbana-Champaign, Illinois , United States

2022

129th General Meeting of the Korean Chemical Society

Poster · Jeju Island , South Korea

2018

Electronic Structure, Dynamics and Spectroscopy Conference

Invited talk (invited) · Indian Association for the Cultivation of Science · Kolkata , India

2018

14th DAE-BRNS Biennial Conference on Radiation and Photochemistry

Poster · Bhabha Atomic Research Centre · Mumbai , India

2018

Departmental Seminar, Physical Chemistry and Spectroscopy

Departmental seminar (invited) · Indian Association for the Cultivation of Science · Kolkata , India

2017

20th CRSI National Symposium in Chemistry

Poster · Gauhati University · Guwahati, Assam , India

2017

Departmental Seminar, Physical Chemistry and Spectroscopy

Departmental seminar (invited) · Indian Association for the Cultivation of Science · Kolkata , India

2010

National Seminar, "Frontier Areas of Chemistry — A Modern Perspective"

Attended · Ramakrishna Mission Vidyamandira · Belur Math, West Bengal , India

2010

National Workshop, "The Origin of Modern Chemistry"

Workshop · Scottish Church College · Kolkata , India

Teaching

Prepared

Courses I am prepared to teach

Group Theory and Spectroscopy (CH3203); Molecular Structure and Symmetry (CH4102); Chemical Thermodynamics (CH4103); Physical Chemistry Laboratory (CH1202); Quantum Chemistry I (CH2102); Fundamentals of Spectroscopy (CH2201); Quantum Chemistry II (CH3103); Principles of Physical Chemistry (CH5104); Advanced Physical Chemistry Laboratory (CH3105); Fluorescence Spectroscopy: Principles and Applications (ID4102).

Proposed

Proposed new electives

Nonlinear and Ultrafast Spectroscopy; Polaritonic and Quantum Chemistry; Interfacial Electrochemistry.

Full teaching philosophy and mentoring record

Techniques and skills

  • Surface-enhanced 2D IR spectroscopy
  • Operando ATR-SEIRAS spectro-electrochemistry
  • Broadband and polarisation-controlled 2D IR
  • Constant-potential molecular dynamics
  • Fabry–Pérot microcavity fabrication
  • 2D IR spectroscopy under vibrational strong coupling
  • Enzyme kinetics
  • Two-dimensional infrared spectroscopy
  • Polarisation-selective mid-IR pump–probe spectroscopy
  • Ultrafast vibrational transient-grating spectroscopy
  • Discrete wavelet transform denoising
  • Electrochemical impedance spectroscopy
  • Heterodyne-detected vibrational sum frequency generation
  • FTIR and Raman spectroscopy
  • Steady-state UV–visible and fluorescence spectroscopy
  • Fluorescence upconversion spectroscopy
  • Time-correlated single-photon counting
  • GROMACS molecular dynamics simulation
  • Ab initio and DFT calculation, atoms in molecules analysis
  • MATLAB, OriginPro
  • Adobe Creative Cloud (Photoshop, Illustrator, Lightroom)

Referees

Referee contact details are given in the downloadable PDF and are available on request.