The dipole moment of supercritical water – local vs. mean-field polarisation contributions
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Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids
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Monte Carlo simulations of the blinking-checkers model for polyamorphic fluids
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The structure of water from hot to supercooled temperatures based on analysis of experimental X-ray scattering data
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Exact-factorisation study of the photochemistry of phenol
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Active particles confined in deformable droplets
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Fine-tuning the photophysical properties of Imidazo[1,2-a]pyridine-based dyes by the change in substituent and solvent media: DFT and TD-DFT studies
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The fewest switches surface hopping as an optimisation problem
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Relativistic coupled-cluster simulation of the kinetics of the hydrolysis of uranium hexafluoride
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Modeling bicarbonate formation in an alkaline solution with multi-level quantum mechanics/molecular dynamics simulations
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