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Ensemble-based molecular simulation of chemical reactions under vibrational nonequilibrium. |
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Modeling of CO2 plasma: effect of uncertainties in the plasma chemistry. |
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Merging metadynamics into hyperdynamics: accelerated molecular simulations reaching time scales from microseconds to seconds. |
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On the time scale associated with Monte carlo simulations. |
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Combining molecular dynamics with Monte Carlo simulations: implementations and aplications. |