Time Day 1: Thursday, February 22nd, 2018 duration 13:30-15:20 Lunch Welcome by Prof Satrajit Adhikari, Head of the Department. of Physical 15:25-15:30 Chemistry, IACS Address by Prof. Debashis Mukherjee 15:30-15:45 Indian Association for the Cultivation of Science, Kolkata 15:45-17:15 Technical Session I: Chair: Prof. S. P. Bhattacharyya (IACS) Perspective talk by Prof. Santanu Bhattacharya 15:45-16:20 Director, Indian Association for the Cultivation of Science Perspective talk by Prof. Sourav Pal 16:20-16:55 Director, Indian Institute of Science Education and Research Kolkata Prof. Sotir Chervenkov (Max Planck Institute of Quantum Optics, Munich, Germany) 16:55-17:15 Slowing down of molecules 17:15-18:00 Tea Break 18:00-19:30 Technical Session II: Chair: Prof. Sanjib Ghosh (Adamas University, Kolkata) Prof. Samir Pal (SNBNCBS) 18:00-18:20 The Key Spectroscopy for the Development of Indigenous Technology Perspective talk by Prof. Siva Umapathy 18:20-19:00 Indian Institute of Science, Bangalore Ultrafast Raman spectroscopy: Applications to chemical dynamics 19:00- Dinner Time Day 2: Friday, February 23rd, 2018 duration 10:00-11:40 Technical Session III: Chair: Prof. Tapanendu Kundu (IIT Bombay) Speaker Title of talk Chayan K. Nandi 10:00-10:20 Carbon Dots or Organic Nanocrystals? (IIT Mandi) Prasun Mandal CdSe based Core/ Alloy-Shell/ Shell Quantum Dots:Optical 10:20-10:40 (IISER Kolkata) Superiority at the Ensemble and Single Particle Level Anindya Datta Strategies for enhancement of emission from a weakly 10:40-11:00 (IITB Mumbai) fluorescent molecule Hari P. Photodissociation Dynamics of Small Polyatomic Molecules in 11:00-11:25 Upadhyaya Gas Phase: A Resonance Enhanced Multiphoton Ionization – (BARC, Mumbai) Time of Flight (REMPI–TOF) Study Sayan Bagchi Solvent dynamics mediated interplay between energetically 11:25-11:40 (NCL Pune) disparate interactions in solution 11:40-12:00 Tea Break 12:00-13:30 Technical Session IV: Chair: Dr. Ruchi Anand (IIT Bombay) Dilip K. Maity 12:00-12:20 Microhydration of 2-Naphthol: A Case Study on Photo Acid (BARC, Mumbai) Ashwani K. 12:20-12:40 Tiwari Dynamics of H2O dissociation on Nickel Surfaces (IISER Kolkata) Sumana Dutta Dependence of spiral wave dynamics on the excitability of a 12:40-12:55 (IITG, Guwahati) reaction diffusion system Viola C. Dmello Thermochemical Map of the N-H···N Hydrogen Bonded 12:55-13:10 (TIFR Mumbai) Benzimidazole Dimer Saurabh Nagpal Ion Mobility mass spectrometer: adding a new orthogonal 13:10-13:30 (Agilent dimension to data to get fresh insights into complex samples Technologies) 13:30-15:00 Lunch 15:00-16:45 Session V (Poster) 16:00-16:45 Tea will be served Technical Session VI: Chair: Prof. Kamal Bhattacharyya (University of Calcutta) 17:00-18:50 and Prof. Sanjib Bagchi (Presidency University) Perspective talk by Prof. Deb Shankar Ray 17:00-17:30 Indian Association for the Cultivation of Science, Kolkata Pattern formation in non-equilibrium systems Perspective talk by Prof. Sudipta Maity 17:30-18:00 Tata Institute of Fundamental Research, Mumbai Dynamics Guided Ligand Design for Disordered Proteins Prof. G. Naresh Patwari (IIT B, Mumbai) 18:00-18:25 Do Supramolecular Synthons Defy Two Body Interactions? Dr. K. R. Shamasundar (IISER Mohali) 18:25-18:40 Diagonal Born-Oppenheimer Correction for Coupled-Cluster Wave-functions 18:40- Dinner Time Day 3: Saturday, February 24th, 2018 duration 10:00-11:45 Technical SessionVII: Chair: Prof. Puspendu K. Das (IISc. Bangalore) Dr. Pujarini Banerjee (IACS), summarizes scientific contribution of Prof. Sanjay 10:00-10:20 Wategaonkar, TIFR, Mumbai Speaker Title of the Talk Rajesh K.Vatsa Gigawatt Pulse Driven Coulomb Explosion in van der Waals 10:20-10:45 (BARC, Mumbai) Clusters B. Rajakumar Gas Phase Kinetics and Spectroscopy Relevant to Atmospheric 10:45-11:10 (IIT M) and Combustion Processes * Aloke Das Gas phase IR spectroscopic signature for C=O…C=O n 11:10-11:30 (IISER Pune) interactions in the building block of collagen Arijit Das 11:30-11:45 Rotational Spectra of H2S Dimer: Observation of Ka=1 Lines (IISc Bangalore) 11:35-12:00 Tea Break 12:00-13:25 Technical Session VIII: Chair: Prof. Rajat Chaudhuri (IIAP, Bangalore) Rajarshi Entropy production and work fluctuation relations for a single 12:00-12:20 Chakrabarti particle in active bath (IIT B, Mumbai Sabyashachi 12:20-12:40 Mishra Tuning Magnetic Anisotropy with Metal-Ligand Interaction (IIT KGP) Debdutta Confinement Induced Thermodynamic and Kinetic Facilitation 12:40-12:55 Chakraborty of Some Diels-Alder Reactions Inside a CB[7] Cavitand. (IITKGP) + Amit Paul Association and Dissociation Dynamics of Na (Benzene)1/2 12:55-13:10 (NIT Meghalaya) Clusters at High Temperature: Importance of Anharmonicity Sandip Kar Controlling cellular proliferation by adjusting microRNA 13:10-13:25 (IIT Bombay) dynamics 13:15-15:00 Lunch 15:00-17:00 Technical Session IX: Chair: Prof. Mintu Halder (IIT Kharagpur) Manabendra Sarma Local Complex Potential Based Time Dependent Wave 15:00-15:20 (IIT G, Guwahati) Approach in Electron Molecule Scattering Ramprasad Misra Molecular Mechanism for Thermal Stability of Microbial 15:20-15:35 (WIS, Israel) Rhodopsins: A Spectroscopic Study Saptarshi Ghosh Confinement Induced Thermodynamic and Kinetic Facilitation 15:35-15:50 (JU, Kolkata) of Some Diels-Alder Reactions Inside a CB[7] Cavitand Bedabyas Behera 15:50-16:05 Gas phase infrared spectra of H-bonded oligomers of methanol (IISc Bangalore) Bikramjit Sharma On the Controversy over the Stable Conformation of 16:05-16:20 (IIT K, Kanpur) Zwitterionic γ-Aminobutyric Acid in Water C. S. Rajesh 16:20-16:35 (Laser Spectra Ultrafast Transient Absorption Spectroscopy Services) 16:35-17: 00 Tea break 17:00-19:00 Technical Session X: Prof. Nitin Chattopadhyay (JU) and Prof. Nikhil Gucchait (CU) Dipak K. Palit Ultrafast Dynamics of Hydrogen Bond in the Excited State: 17:00-17:30 (BARC, Mumbai) Time-Resolved Visible Pump – IR Probe Spectroscopic Study Dielectric Relaxation in Acetamide+Urea Deep Eutectics and Ranjit Biswas 17:30-17:50 Neat Molten Urea: Temperature Dependent Measurements and (SNBNCBS) Computer Simulations Sobhan Sen New Insight of Location Dependent Polarity, Energy Transfer 17:50-18:10 (JNU, New Delhi) and Hydration Dynamics at Lipid/Water Interfaces Pratik Sen Ultrafast Photo-induced Bi-molecular Electron Transfer 18:10-18:30 (IIT K, Kanpur) Reaction and Marcus Inversion Sumit Singhal Understanding Thermal lensing in fluids through the 18:30-18:45 (IITK Kanpur) inclusion of laser induced convection Shreetama Transient Raman Marker Modes of Twisted Intramolecular 18:45-19:00 Karmakar Charge Transfer States in Stilbazolium Cations (TIFR Mum) 19:10- Dinner Time Day 4: Sunday, February 25th, 2018 duration 10:00-11:30 Technical Session XI: Chair: Dr. Arindam Chowdhury (IIT Bombay) Speaker Title of talk Pradipta Small Molecule Interactions with Lipid Vesicles: FLIM and 10:00-10:15 Purkayastha (IISER FCS Outcomes Kolkata) Debarati Ray 10:15-10:30 Lactim-Lactam Tautomerism on Gold Nanosurface (CU, Kolkata) Role of Dispersive Fluorous Interaction in the Photophysics Saptarsi Mondal 10:30-10:45 And Solvation Dynamics of the Perfluoro Group Containing (IACS) Molecules pH dependent interaction of norfloxacin housed in lysozyme: Ishita Das 10:45-11:00 The protein modulates the prototropic equilibrium of the drug (IITKGP) to host the preferred ionized state Avijit Shee GW method using the Cholesky decomposition technique with 11:00-11:15 (Univ. of applications to QM/QM embedding approaches Michigan) Getting selective bond dissociation in triatomic molecules by Srijeeta Talukder 11: 15-11:30 optimally designed polychromatic pulse: A stochastic (IACS Kolkata) optimization based study 11:30-12:00 Tea Break 12:00-13:00 Technical Session XII: Chair: Prof. Debasis Mukhopadhyay (CU) Bounds of the entropy production of the irreversible Bidhan C. Bag 12:00-12:15 thermodynamics and its' relation with the non-equilibrium (Visva Bharati) temperature Biplab Sarkar Hydrogen bonding interactions in gas phase 3-halo catechol 12:15-12:30 (NEHU) and 2-hydroxy thiophenol with a water molecule Pulak K. Ghosh Transport properties of artificial micro-swimmers in periodic 12:30-12:45 (Presidency Univ.) structures Anirban Karmakar 12:45-13:00 (SNBNCBS, Molecular Conductance through pyridine system Kolkata) Pujarini Banerjee Matrix isolation IR spectroscopy of strong (O-H···O) and 13:00-13:15 weakly bound (O-H···π) binary H-bonded complexes: Origin of (IACS Kolkata) donor νO-H shift 13:15-14:30 Lunch 14:30-15:50 Technical Session XIII: Chair: Prof. Debashis Mukherjee (IACS) Bimalendu Deb 14:30-14:50 Ion-atom Cold Collisions and Photoassociations (IACS Kolkata) Ankal Paul Storing Solar Energy in Anthracenophanes: A “Strained” 14:50-15:10 (IACS Kolkata) Parabale Singlet Fission in Organic Molecular Crystals-Molecular Ayan Datta 15:10-15:30 (IACS Kolkata) Pathways Debashree Ghosh Photo-processes in biological systems – Need for hybrid 15:30-15:50 (IACS Kolkata) QM/MM with polarization 15:50-16:15 Tea Break 16:15-17:35 Technical Session XIV: Prof. Pinaki Chaudhury (CU) and Prof. Gautam Gangopadhyay (SNBNCBS) Ravindra Pandey In Situ Probing of Charge Transfer States at Buried Organic 16:15-16:35 (IACS Kolkata) Interfaces with Even-Order Spectroscopy Theoretical Study of Small Iron-oxyhydroxide Clusters and 16:35-16:55 Bidisa Das (IACS Kolkata) Formation of Ferrihydrite Avisek Das Multiscale simulation of conformational dynamics of an ATP- 16:55-17:15 (IACS Kolkata) driven calcium transporting membrane protein Biman Jana 17:15-17:35 Decoding the Unusual Structure of an antifreeze protein: (IACS Kolkata) Implications from Low Temperature Hydrophobicity .