Monday • Tuesday • Wednesday • Thursday • Friday

Tuesday, June 15

All times in Eastern Daylight Time (GMT-4)

7:30 - 9:00 am | Game Events

The first organized game event will take place before the poster session on Tuesday. Anyone is invited to attend, though we did choose this time to be convenient for participants in Europe and Asia. Games will all take place in Gather.

For IAC members: there will be a meeting from 8:00 - 9:00 am. You will have received an email with the Zoom link for that meeting

9:00 - 11:00 am | First Poster Session

Poster sessions will occur on the Gather platform

Poster Session 1 Program

11:15 - 11:30 am | Break

Chair: Paul Donaldson, Rutherford Appleton Laboratory

11:30 - 12:00 am | Giulio Cerullo, Politecnico di Milano, Italy

Real-time tracking of conical intersection dynamics in pyrimidine nucleosides

We combine sub-30-fs transient absorption spectroscopy with broad spectral coverage and quantum-classical dynamics simulations to resolve deactivation mechanisms of uridine and 5-methyluridine in water. For both nucleosides we track the wavepacket motion from the Franck-Condon region to the conical intersections with the ground state and observe excited-state vibrational modes.

12:00 - 12:30 pm | Jens Bredenbeck, Goethe University, Germany

Non-Canonical Amino Acids and Other Probes for TRVS

Non-canonical amino acids (ncAAs) allow incorporation of spectroscopic tools into proteins which are optimized for different advanced spectroscopy techniques. We employ ncAAs carrying probes particularly suited for TRIR, pump-probe or 2D-IR experiments. We furthermore introduce new functionalities for higher order experiments such as VIPER 2D-IR and for energy transfer measurements.

12:30 - 12:50 pm | Benjamin Fingerhut, Max Born Institute, Germany

Contact Pairs of dsRNA with Magnesium Ions – Electrostatics beyond the Poisson-Boltzmann Equation

The electrostatic interaction of RNA with its aqueous environment is most relevant for defining the macromolecular structure. We identify contact pairs of RNA phosphate groups with magnesium ions as key structural feature and characterize the electrostatic properties. Theoretical analysis demonstrates the importance of all-atom microscopic modeling of the biomolecular electrostatics.

12:50 - 1:05 pm | Break

1:05 - 1:35 am | Tobias Brixner, University of Würzburg, Germany

Fluorescence-Detected 2D Electronic Micro-Spectroscopy Reveals Exciton–Phonon Coupling

We develop method variants of action-based two-dimensional (2D) electronic spectroscopy with additional spatial resolution in a fluorescence microscope. Thus we quantify the mutual couplings between excitons, vibrations, and photons. In particular, we analyze 2D transition metal dichalcogenides at room temperature.

1:35 - 2:05 pm | Lev Chuntunov, Technion, Israel

Two-dimensional infrared spectroscopy of molecules on metal nanostructures

We study molecular structure and dynamics on the surface of metal nanostructures, spanning from colloidal nanoparticles of few nanometers in size to infrared antennas of few microns. Using 2DIR spectroscopy, we find that metal nanostructures affect both the conformations of surface molecules and the way they interact with excitation light.

2:05 - 2:25 pm | Jasper van Thor, Imperial College London, UK

Optical control of vibrational coherence in a fluorescent protein

We analyse the observation of ultrafast structural dynamics on femtosecond time scale of a fluorescent protein that undergoes photoisomerisation. We apply the analysis of impulsive Raman spectroscopy and coherent control methodology to the real-space observation of low frequency vibrational dynamics and displacements, that we have measured by ultrafast X-ray crystallography.

2:25 - 2:40 pm | Break

Chair: Daniel Kuroda, Louisiana State University

2:40 - 3:10 pm | Jessica Anna, University of Pennsylvania, USA

Probing Ultrafast Dynamics of Copper Complexes and Light Harvesting Chromophores with 2DIR and 2DES

Pump-probe and multidimensional spectroscopies in the visible and mid-IR spectral regions are used to investigate the ultrafast dynamics of two different model systems: a series of systematically varied copper complexes and artificial light harvesting chromophores.

3:10 - 3:40 pm | Michael Wasielewski, Northwestern University, USA

Influence of Vibronic Coupling on Singlet Fission

Recent experimental investigations into singlet fission (SF) provide evidence for coherent mixing between the singlet, multiexciton (TT), and CT states. We are using 2D electronic spectroscopy to probe the role of vibronic coupling in SF in these phenomena for a variety of chromophore dimers that undergo ultrafast SF.

3:40 - 4:00 pm | Nathaniel Gallop, Imperial College London, UK

Just Vibing: Electronic and Vibrational Coupling Between the Organic and Inorganic Sublattices in Perovskite Solar Cells

We outline our efforts to apply a novel spectroscopic technique— termed PC/VIPER— to the study of organohalide perovskites, in particular the influence of the organic A-site ions on their optoelectronic behavior. Our results suggest the A-site ion does weakly influence certain optoelectronic properties, primarily through interactions with the inorganic cage.

4:00 - 4:15 pm | Break

4:15 - 4:45 pm | Carlos Baiz, University of Texas, USA

Hydrogen-bond networks and ultrafast dynamics in crowded environments

Crowded environments are characterized by highly disrupted hydrogen-bond networks and slower H-bond exchange dynamics compared to bulk water. We used 2D IR spectroscopy to measure picosecond H-bond dynamics in a range of crowders to establish a link between crowder structure and the effect on water and biomolecule dynamics.

4:45 - 5:05 pm | Yi Rao, Utah State University, USA

Interfacial Vibronic Couplings Revealed by Two-Dimensional Electronic-Vibrational Sum Frequency Generation (2D-EVSFG)

We present the development of interface-specific two-dimensional electronic-vibrational sum frequency spectroscopy (2D-EVSFG) for electronic-vibrational couplings for excited states. We demonstrate this 2D-EVSFG technique by investigating photoexcited interface-active molecules at the air/water interface. The 2D-EVSFG experiments show strong vibronic couplings and their time-evolution of modes at interfaces and surfaces.

5:05 - 5:25 pm | Christopher Cheatum, University of Iowa, USA

Accelerating 2D IR Measurements of Protein Dynamics

We present improvements to the measurement and analysis of 2D IR spectral data to determine protein dynamics that both reduce the measurement time and improve the accuracy of the results. These improvements are important steps towards the development of high-throughput screening methods using 2D IR.