She is a materials scientist who has worked on nanoparticles and low-temperature liquid metals, and who has spoken out on sexism in the scientific research establishment.

[5] Her research interests include understanding how and why the properties of clusters of atoms, such as their melting points, depend on size and electronic structure.

[7][8] The anomalously high melting temperatures of gallium nanoparticles have been shown to be due to a lower entropy of the liquid state.

[13] Gaston was awarded the CMMSE prize in 2016 for important contributions in the developments of numerical methods for physics, chemistry, engineering and economics.

[14] In 2023, she was awarded the Thomson Medal by the Royal Society Te Apārangi in recognition of her leadership in highlighting and addressing gender equity issues in the science sector, in supporting researchers to speak out for the public good, as well as for her work as co-director of the MacDiarmid Institute and as president of the New Zealand Association of Scientists.