Simulations of Mpemba effect in water and Lennard-Jones models
A hotter sample of water may freeze faster, than a colder one, when kept inside a refrigerator working…
Chemical tuning of quantum spin–electric coupling in molecular magnets
The Mn(Me6tren)X compounds The crystallographic structure of Cl derivative 1 is the same as that reported for its…
Attosecond control and measurement of chiral photoionization dynamics
Chirality is traditionally viewed as a structural property of matter. The spatial arrangement of atoms in molecules and…
Intermolecular Coulombic decay in liquid water competes with proton transfer and non-adiabatic relaxation
Experimental methods The experiments were performed by combining a monochromatized table-top high-harmonic-generation (HHG) source, a liquid micro-jet and…
Theoretical and quantum mechanical deconstruction of vibrational energy transfer pathways modified by collective vibrational strong coupling
Ebbesen, T. W. Hybrid light-matter states in a molecular and material science perspective. Acc. Chem. Res. 49, 2403–2412…
Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections
Bernardi, F., Olivucci, M. & Robb, M. A. Potential energy surface crossings in organic photochemistry. Chem. Soc. Rev.…
Atomistic computing of the solid–fluid surface free energy and tension
Coasne, B., Galarneau, A., Pellenq, J. & Renzo, F. D. Adsorption, intrusion and freezing in porous silica: the…
Attosecond X-ray spectroscopy reveals the competing stochastic and ballistic dynamics of a bifurcating Jahn–Teller dissociation
The SXR-ATAS experimental methodology employed in this work builds on ref. 16, with the addition of an in-situ…
Quantum dynamics simulation of exciton-polariton transport
First, we study the quantum dynamics of EP transport an “ideal” organic microcavity model without static disorder (cf.…