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2 citations
Disorder-Induced Transition from Transient Quantum Delocalization to Charge Carrier Hopping Conduction in a Nonfullerene Acceptor Material
Ljiljana Stojanović, Jack Coker, Samuele Giannini, Giacomo Londi, Anders S. Gertsen, Jens Wenzel Andreasen, Jun Yan, Gabriele D’Avino, David Beljonne, Jenny Nelson, and Jochen Blumberger
Phys. Rev. X 14, 021021 (2024) – Published 29 April 2024

In organic semiconductors, charge carriers may form delocalized or localized quasiparticles depending on molecular properties and environmental effects. Here, it is shown how structural and electrostatic disorder induce localization.

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Inverse Volume Scaling of Finite-Size Error in Periodic Coupled Cluster Theory
Xin Xing and Lin Lin
Phys. Rev. X 14, 011059 (2024) – Published 28 March 2024

Rigorous analysis of the finite-size error in quantum chemistry methods for periodic systems toward the thermodynamic limit reveals surprising theoretical properties.

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Mechanical Self-Organization of Particle Networks during Uniaxial Compression Yielding
Michio Tateno, Yinqiao Wang, and Hajime Tanaka
Phys. Rev. X 14, 011035 (2024) – Published 4 March 2024

Compressive yielding of a colloidal gel induces a unique state, independent of strain history, suggesting the microstructures of gels possess an inherent ability to self-organize.

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Featured in Physics 1 citation
Opposite Effects of the Rotational and Translational Energy on the Rates of Ion-Molecule Reactions near 0 K: The D2++NH3 and D2++ND3 Reactions
Raphaël Hahn, David Schlander, Valentina Zhelyazkova, and Frédéric Merkt
Phys. Rev. X 14, 011034 (2024) – Published 1 March 2024
Physics logo Focus: Cold Chemistry is Different

Experiments demonstrate some of the unusual features of molecular reactions that occur in the deep cold of interstellar space.

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Featured in Physics 1 citation
Quantifying the Properties of Nonproductive Attempts at Thermally Activated Energy-Barrier Crossing through Direct Observation
Aaron Lyons, Anita Devi, Noel Q. Hoffer, and Michael T. Woodside
Phys. Rev. X 14, 011017 (2024) – Published 14 February 2024
Physics logo Viewpoint: Failed Barrier Crossings Tell a Story

Researchers have measured short-timescale fluctuations in metastable systems, uncovering information about failed attempts to cross the barriers that define the metastable state.

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Featured in Physics 3 citations
Laser-Induced Electron Diffraction in Chiral Molecules
Debobrata Rajak, Sandra Beauvarlet, Omer Kneller, Antoine Comby, Raluca Cireasa, Dominique Descamps, Baptiste Fabre, Jimena D. Gorfinkiel, Julien Higuet, Stéphane Petit, Shaked Rozen, Hartmut Ruf, Nicolas Thiré, Valérie Blanchet, Nirit Dudovich, Bernard Pons, and Yann Mairesse
Phys. Rev. X 14, 011015 (2024) – Published 12 February 2024
Physics logo: Probing Chiral Molecules with Their Own Electrons

A technique that can determine the chirality of a molecule using that molecule’s own electrons could allow researchers to probe the dynamical behavior of chiral molecules on very short timescales.

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1 citation
Quantifying Rare Events in Stochastic Reaction-Diffusion Dynamics Using Tensor Networks
Schuyler B. Nicholson and Todd R. Gingrich
Phys. Rev. X 13, 041006 (2023) – Published 9 October 2023

A new methodology for calculating the rate at which a reaction-diffusion system switches between metastable macrostates provides a tool for understanding how macroscopic patterns arise from microscopic reactions.

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10 citations
Circuit Theory for Chemical Reaction Networks
Francesco Avanzini, Nahuel Freitas, and Massimiliano Esposito
Phys. Rev. X 13, 021041 (2023) – Published 27 June 2023

Just as circuit theory breaks complex electrical circuits into simpler components, a new framework does the same for chemical reaction networks, providing tools to simplify the analysis of molecule and energy flow.

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6 citations
Geometry of Nonequilibrium Reaction Networks
Sara Dal Cengio, Vivien Lecomte, and Matteo Polettini
Phys. Rev. X 13, 021040 (2023) – Published 27 June 2023

A new framework for analyzing forces and currents in nonequilibrium systems generalizes existing graph-theoretical tools to now encompass interacting reaction networks and time-dependent properties.

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28 citations
Thirty Milliseconds in the Life of a Supercooled Liquid
Camille Scalliet, Benjamin Guiselin, and Ludovic Berthier
Phys. Rev. X 12, 041028 (2022) – Published 12 December 2022

Novel simulations of supercooled liquids near the glass transition temperature elucidate the nature of molecular dynamics taking place over long times, allowing for a reassessment of our understanding of the glass transition itself.

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2 citations
Localized Elasticity Governs the Nonlinear Rheology of Colloidal Supercooled Liquids
Dejia Kong, Wei-Ren Chen, Ke-Qi Zeng, Lionel Porcar, and Zhe Wang
Phys. Rev. X 12, 041006 (2022) – Published 17 October 2022

Short-lived elastic regions in colloidal supercooled liquids under shear flow provide the mechanism for nonlinear viscoelasticity in these fluids, shedding light on more general flow behavior of soft condensed matter.

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6 citations
Accurate Nonempirical Range-Separated Hybrid van der Waals Density Functional for Complex Molecular Problems, Solids, and Surfaces
Vivekanand Shukla, Yang Jiao, Jung-Hoon Lee, Elsebeth Schröder, Jeffrey B. Neaton, and Per Hyldgaard
Phys. Rev. X 12, 041003 (2022) – Published 10 October 2022

A new exchange-correlation energy functional approximation—key for density-functional theory predictions of atomic-scale properties—proves highly accurate for a broad range of problems.

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16 citations
Relaxation Dynamics in the Energy Landscape of Glass-Forming Liquids
Yoshihiko Nishikawa, Misaki Ozawa, Atsushi Ikeda, Pinaki Chaudhuri, and Ludovic Berthier
Phys. Rev. X 12, 021001 (2022) – Published 1 April 2022

Computer simulations of many models of glass-forming liquids fully characterize how they relax into energy minima in a rugged energy landscape.

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Featured in Physics 21 citations
Detection of Long-Lived Complexes in Ultracold Atom-Molecule Collisions
Matthew A. Nichols, Yi-Xiang Liu, Lingbang Zhu, Ming-Guang Hu, Yu Liu, and Kang-Kuen Ni
Phys. Rev. X 12, 011049 (2022) – Published 15 March 2022
Physics logo Synopsis: Ultracold Molecules Have Staying Power

Intermediate, nonreactive atom-molecule complexes last for a surprisingly long time.

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29 citations
Asymmetric Attosecond Photoionization in Molecular Shape Resonance
Xiaochun Gong, Wenyu Jiang, Jihong Tong, Junjie Qiang, Peifen Lu, Hongcheng Ni, Robert Lucchese, Kiyoshi Ueda, and Jian Wu
Phys. Rev. X 12, 011002 (2022) – Published 4 January 2022

A technique for timing the photoemission from a molecule shows an attosecond-scale delay of the electron wave packet from opposite ends of the molecule, thus demonstrating a new tool for exploring photoelectron dynamics.

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12 citations
Inner-Shell-Ionization-Induced Femtosecond Structural Dynamics of Water Molecules Imaged at an X-Ray Free-Electron Laser
T. Jahnke et al.
Phys. Rev. X 11, 041044 (2021) – Published 3 December 2021

X-ray experiments and theoretical modeling provide a movie of how a water molecule responds to ionizing radiation, setting the stage for further studies of radiation chemistry in aqueous environments.

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Featured in Physics 17 citations
Design Principles for Long-Range Energy Transfer at Room Temperature
Andrea Mattioni, Felipe Caycedo-Soler, Susana F. Huelga, and Martin B. Plenio
Phys. Rev. X 11, 041003 (2021) – Published 6 October 2021
Physics logo Viewpoint: Rising Above the Quantum Noise

The control of molecular-level quantum effects in artificial photosynthetic membranes is a powerful tuning knob for optimizing long-range energy transport, according to a theoretical study.

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6 citations
Self-Assembly of Informational Polymers by Templated Ligation
Joachim H. Rosenberger, Tobias Göppel, Patrick W. Kudella, Dieter Braun, Ulrich Gerland, and Bernhard Altaner
Phys. Rev. X 11, 031055 (2021) – Published 13 September 2021

Competition of timescales in RNA self-assembly leads to two distinct length scales, one of which may act as building blocks for strands that grow into functional catalyzers, a key insight for origins-of-life research.

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6 citations
Experimental Measurement of Relative Path Probabilities and Stochastic Actions
Jannes Gladrow, Ulrich F. Keyser, R. Adhikari, and Julian Kappler
Phys. Rev. X 11, 031022 (2021) – Published 27 July 2021

A protocol for extracting ratios of trajectory probabilities for a single Brownian particle provides a long-missing link for experimentally addressing questions in stochastic dynamics.

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16 citations
Nonclassical Nucleation Pathways in Stacking-Disordered Crystals
Fabio Leoni and John Russo
Phys. Rev. X 11, 031006 (2021) – Published 9 July 2021

Layered and onionlike structures emerge solely from structural differences among competing crystalline growths in a liquid melt, according to a new deep neural network analysis.

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11 citations
Ultrafast Resonant Interatomic Coulombic Decay Induced by Quantum Fluid Dynamics
A. C. LaForge et al.
Phys. Rev. X 11, 021011 (2021) – Published 12 April 2021

Bubbles in helium droplets form around excited atoms and greatly accelerate interatomic Coulombic decay, showing how environment enhances this biologically relevant energy-sharing process among atoms and molecules.

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1 citation
Ionically Charged Topological Defects in Nematic Fluids
Jeffrey C. Everts and Miha Ravnik
Phys. Rev. X 11, 011054 (2021) – Published 16 March 2021

Topological defects in nematic electrolytes can separate electric charges and stabilize them without the need for additional surfaces, with possible applications in microelectronics.

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11 citations
Negative Energy Elasticity in a Rubberlike Gel
Yuki Yoshikawa, Naoyuki Sakumichi, Ung-il Chung, and Takamasa Sakai
Phys. Rev. X 11, 011045 (2021) – Published 5 March 2021

Contrary to common belief, the softness of polymer gels is determined by negative energy elasticity and not only by entropy elasticity, a key finding for designing gels used in medical applications at various temperatures.

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10 citations
High Temporal and Spectral Resolution of Stimulated X-Ray Raman Signals with Stochastic Free-Electron-Laser Pulses
Stefano M. Cavaletto, Daniel Keefer, and Shaul Mukamel
Phys. Rev. X 11, 011029 (2021) – Published 12 February 2021

Temporal and spectral resolution of x-ray spectroscopy can be improved by exploiting correlations of existing stochastic x-ray fields, allowing for new investigations of electron and nuclear dynamics in molecules.

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3 citations
Magnetic Moments of Short-Lived Nuclei with Part-per-Million Accuracy: Toward Novel Applications of β-Detected NMR in Physics, Chemistry, and Biology
R. D. Harding et al.
Phys. Rev. X 10, 041061 (2020) – Published 28 December 2020

Experiments determine the magnetic moment of a short-lived nucleus with parts-per-million accuracy, an improvement by several orders of magnitude thanks to a β-NMR setup at CERN.

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