362 citations · 3.7k across the 50 of their papers we have counts for
51 papers
A Local Structural Basis to Resolve Amorphous Ices
Quinn M. Gallagher, Ryan J. Szukalo, Nicolas Giovambattista +2
Phases with distinct thermodynamic properties must differ in their underlying microscopic configurations. While ordered phases are readily distinguished by unit cells and space gro…
On the possibility of chiral symmetry breaking in liquid hydrogen peroxide
Roberto Menta, Pablo G. Debenedetti, Roberto Car +1
Molecular chirality is a key concept in chemistry with implications for the origin of life and the manufacturing of pharmaceuticals. Previous simulations of a chiral molecular mode…
Critical behavior in a chiral molecular model
Pablo M. Piaggi, Roberto Car, Frank H. Stillinger +1
Understanding the condensed-phase behavior of chiral molecules is important in biology, as well as in a range of technological applications, such as the manufacture of pharmaceutic…
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar
Pablo M. Piaggi, Annabella Selloni, Athanassios Z. Panagiotopoulos +2
The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid wat…
Melting curves of ice polymorphs in the vicinity of the liquid-liquid critical point
Pablo M. Piaggi, Thomas E. Gartner, Roberto Car +1
The possible existence of a liquid-liquid critical point in deeply supercooled water has been a subject of debate in part due to the challenges associated with providing definitive…
Formation of Dissipative Structures in Microscopic Models of Mixtures with Species Interconversion
Thomas J. Longo, Nikolay A. Shumovskyi, Betül Uralcan +3
The separation of substances into different phases is ubiquitous in nature and important scientifically and technologically. This phenomenon may become drastically different if the…