F. Remacle

Environmental Control Extends Beyond Quantum Dephasing in Exciton Energy Transfer

Junhua Zhou, Tianrui Chen, Dehao Yuan, Enhu He et autres

Excitation-energy transfer underpins the conversion of light into usable energy in photosynthetic organisms and serves as a paradigm for evolutionary optimized transport in open quantum systems. Although this process is often described as incoherent thermally assisted hopping, such descriptions become inadequate when …

Imprinting chirality on a vibronic density of a non chiral vibrating molecule with a short femtosecond NIR chiral pulse

Adam Smeers, Shouryo Ghose, R. D. Levine, F. Remacle

Full quantum coupled electrons-nuclei dynamics show that electronic coherences resulting from multiphoton excitation by a femtosecond NIR chiral pulse drive the chirality of the vibronic density in the polar LiH molecule. The pseudoscalar, 𝑑(𝑡) = 𝝁(𝑡) ∙ (̇(𝑡)× ̈(𝑡)), built from the …

Time-resolved three-body fragmentation of methane in strong laser fields

Weiyu Zhang, David V. Chicharro, N. Rapp, Gaurav Pandey et autres

Distinct strong-field fragmentation pathways can converge to identical final products in polyatomic molecules, making the underlying reaction dynamics difficult to identify. In methane, Jahn-Teller symmetry breaking after ionization creates distinct intermediate geometries that lead to different three-body routes within the same final …

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data files for 'Force Directionality Controls Rupture Dynamics in Tethered Metal–Ligand Mechanophores'

Shouryo Ghose, Charles‐André Fustin, Anne‐Sophie Duwez, F. Remacle

Data files supporting the results of the paper

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data files for 'Force Directionality Controls Rupture Dynamics in Tethered Metal–Ligand Mechanophores'

Shouryo Ghose, Charles‐André Fustin, Anne‐Sophie Duwez, F. Remacle

Data files supporting the results of the paper

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Decoding Spatial Programs in Human Glioblastoma Through Surprisal Information-Theoretical Analysis

Shuozhen Bao, Gretchen Long, Shouryo Ghose, N.-K. Wang et autres

Abstract Glioblastoma (GBM) is a highly heterogeneous and invasive brain tumor in which complex interactions among tumor cells, immune cells, and neurons shape disease progression and therapeutic resistance. Resolving spatial patterns programs in glioblastoma (GBM) requires analytical approaches that go beyond variance-driven …

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Probing Ultrafast Excitonic Coherences and Charge-Generation Pathways in Quantum-Dot Photocells via Photocurrent-Detected Two-Dimensional Electronic Spectroscopy

Hadar Manis Levy, Matilde Doardo, James R. Hamilton, Carlo Nazareno Dibenedetto et autres

Understanding how coherent excitonic states influence charge generation is essential for optimizing quantum-dot (QD) optoelectronic devices. Here, we apply photocurrent-detected two-dimensional electronic spectroscopy (PC-2DES) to a functioning CdSe QD photocell to track excitonic interactions and charge-separation dynamics under operational conditions. Selective excitation …

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Surprisal Analysis-Based Compaction of Entangled Molecular States of Maximal Entropy

James Russell Hamilton, F. Remacle, Raphael D. Levine

An attosecond optical pulse can entangle coherently related states of different characters, such as electronic and vibrational, in a molecular system. Using a quantum information theoretic approach, we explicitly define and discuss the surprisal of such a system in the maximal entropy …

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Electronic Coherences Built by Ultrashort Pulse Drive the Vibronic Forces at Nonadiabatic Seams

Gaurav Pandey, Manuel Cardosa-Gutierrez, Raphael D. Levine, F. Remacle

We show that the quantum force that the electrons in a molecule exert on the nuclei remains local even in the presence of strong nonadiabatic interactions. At every geometry, the total force is the sum of a potential gradient term driven by …

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Visualizing the strong field–induced molecular breakup of C 60 via x-ray diffraction

Kirsten Schnorr, Sven Augustin, Ulf Saalmann, Georg Schmid et autres

Laser-driven dynamics in polyatomic molecules poses a complex many-body problem. Understanding intense light-matter interaction is crucial for steering intramolecular quantum dynamical processes. Here, we record time-resolved x-ray diffraction images of [Formula: see text] molecules during and after their interaction with intense near-infrared …

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Entanglement of Molecular Orientation and Vibronic Degrees of Freedom by Ultrafast Photoexcitation in an Ensemble of Initially Randomly Oriented Molecules

Manuel Cardosa-Gutierrez, Gaurav Pandey, F. Remacle

When exciting an ensemble of initially randomly oriented molecules, a linearly polarized few cycle, few femtosecond, or UV or NIR pulse entangles the molecular degrees of freedom with the orientations of the molecule during the fast excitation step. We show, using fully …

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Photoselective isotope fractionation dynamics of N 2 with cosmo and atmospheric chemistry perspectives

Ksenia Komarova, Natalia Gelfand, F. Remacle, Raphael David Levine et autres

Stable isotope ratio measurements provide valuable insights into a broad range of natural processes, from planetary atmospheres and climate to interstellar chemistry. Nitrogen, which has two stable isotopes, exhibits varying isotope ratios across the solar system. To model these observations, the isotope …

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