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Simulations are widely used to study nucleation in first order phasetransitions due to the fact that they have access to the relevant length andtime scales. However, simulations face the problem that nucleation is anactivated process. Therefore, rare event simulation techniques are needed topromote the formation of the critical nucleus. The Seeding method, where thesimulations are started with the nucleus already formed, has proven quiteuseful in efficiently providing estimates of the nucleation rate for a widerange of orders of magnitude. So far, Seeding has been employed in the NPTensemble, where the nucleus either grows or redissolves. Thus, severaltrajectories have to be run in order to find the thermodynamic conditions thatmake the seeded nucleus critical. Moreover, the nucleus lifetime is short andthe statistics for obtaining its properties is consequently poor. To deal withthese shortcomings we extend the Seeding method to the NVT ensemble. We focuson the problem of bubble nucleation in a mestastable Lennard Jones fluid. Weshow that, in the NVT ensemble, it is possible to equilibrate and stabilisecritical bubbles for a long time. The nucleation rate inferred from NVT-Seedingis fully consistent with that coming from NPT-Seeding. The former is quitesuitable to obtain the nucleation rate along isotherms, whereas the latter ispreferable if the dependence of the rate with temperature at constant pressureis required. Care should be taken with finite size effects when usingNVT-Seeding. Further work is required to extend NVT seeding to other sorts ofphase transitions.

Seeding Approach to nucleation in the NVT ensemble: the case of bubble cavitation in overstretched Lennard Jones fluids