This review includes the current state of the art understanding and advances in technical developments about various fields of gas hydrates, which are combined with expert perspectives and analyses.

In this review, the application of a wide variety of external electric fields in molecular simulation shall be discussed, including time-varying and electromagnetic, as well as the utility and potential impact and prospects for exploitation of such simulations for real-world and industrial end use. In particular, non-equilibrium molecular dynamics will be discussed, as well as challenges in addressing adequate thermostatting and scaling field amplitudes to more experimentally relevant levels. Attention shall be devoted to recent progress and advances in external fields in ab initio molecular simulation and dynamics, as well as elusive challenges thereof (and, to some extent, for molecular dynamics from empirical potentials), such as timescales required to observe low-frequency and intensity field effects. The challenge of deterministic molecular dynamics in external fields in sampling phase space shall be discussed, along with prospects for application of fields in enhanced-sampling simulations. Finally, the application of external electric fields to a wide variety of aqueous, nanoscale and biological systems will be discussed, often motivated by the possibility of exploitation in real-world applications, which serve to underpin our molecular-level understanding of field effects in terms of microscopic mechanisms, and possibly with a view to control thereof.

Nonequilibrium molecular dynamics simulations of water in an intense external microwave field have been performed using a rigid/polarizable and a flexible/nonpolarizable potential model, from ambient conditions to supercriticality. The heating profiles were compared to that predicted from a macroscopic energy balance, and the polarizable model was found to be superior in this regard.

Nonequilibrium molecular-dynamics simulations have been carried out at $276.65\mathrm{K}$ and $68\text{bar}$ for the dissolution of spherical methane hydrate crystallites surrounded by a liquid phase. The liquid was composed of pure water or a water-methane mixture ranging in methane composition from 50% to 100% of the corresponding theoretical maximum for the hydrate and ranged in size from about 1600 to 2200 water molecules. Four different crystallites ranging in size from 115 to 230 water molecules were used in the two-phase systems; the nanocrystals were either empty or had a methane occupation from 80% to 100% of the theoretical maximum. The crystal-liquid systems were prepared in two distinct ways, involving constrained melting of a bulk hydrate system or implantation of the crystallite into a separate liquid phase. The breakup rates were very similar for the four different crystal sizes investigated. The method of system preparation was not found to affect the eventual dissociation rates, despite a lag time of approximately $70\mathrm{ps}$ associated with relaxation of the liquid interfacial layer in the constrained melting approach. The dissolution rates were not affected substantially by methane occupation of the hydrate phase in the 80%–100% range. In contrast, empty hydrate clusters were found to break up significantly more quickly. Our simulations indicate that the diffusion of methane molecules to the surrounding liquid layer from the crystal surface appears to be the rate-controlling step in hydrate breakup. Increasing the size of the liquid phase was found to reduce the initial delay in breakup. We have compared breakup rates computed using different long-range electrostatic methods. Use of the Ewald, minimum image, and spherical cut-off techniques led to more rapid dissociation relative to the Lekner method.