DImEnsION @ Warwick is a brand new research group focussing  on Molecular Simulations ofDisordered Systems and Phase Transitions.

We use Computational Methods  to investigate the functional properties of systems of practical relevance, such as water and ice or amorphous solids of interest for electronic devices.

Ice forming on the clay mineral kaolinite. Clusters of ice-like water molecules (purple spheres [O atoms] connected by green bonds) eventually stick (0:36) on the surface of the mineral (cyan and orange spheres [Al and Si atoms]) and proceed to grow. Check out the whole story – published in an open access article available here.

Recent Publications


Pedevilla, Philipp; Fitzner, Martin; Sosso, Gabriele C; Michaelides, Angelos

Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces Journal Article

The Journal of Chemical Physics, 149 (7), pp. 072327, 2018, ISSN: 0021-9606.

Links | BibTeX

Sosso, Gabriele C; Deringer, Volker L; Elliott, Stephen R; Csányi, Gábor

Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials Journal Article

Molecular Simulation, pp. 1–15, 2018, ISSN: 0892-7022, 1029-0435.

Links | BibTeX

Sosso, Gabriele C; Whale, Thomas F; Holden, Mark A; Pedevilla, Philipp; Murray, Benjamin J; Michaelides, Angelos

Unravelling the origins of ice nucleation on organic crystals Journal Article

Chemical Science, 2018, ISSN: 2041-6520, 2041-6539.

Links | BibTeX


Bosoni, Emanuele; Sosso, Gabriele Cesare; Bernasconi, Marco

Grüneisen parameters and thermal conductivity in the phase change compound GeTe Journal Article

Journal of Computational Electronics, 16 (4), pp. 997–1002, 2017, ISSN: 1569-8025, 1572-8137.

Links | BibTeX

Fitzner, Martin; Sosso, Gabriele C; Pietrucci, Fabio; Pipolo, Silvio; Michaelides, Angelos

Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation Journal Article

Nature Communications, 8 (1), 2017, ISSN: 2041-1723.

Links | BibTeX

Tribello, Gareth A; Giberti, Federico; Sosso, Gabriele C; Salvalaglio, Matteo; Parrinello, Michele

Analyzing and Driving Cluster Formation in Atomistic Simulations Journal Article

Journal of Chemical Theory and Computation, 13 (3), pp. 1317–1327, 2017, ISSN: 1549-9618, 1549-9626.

Links | BibTeX

Gabardi, S; Baldi, E; Bosoni, E; Campi, D; Caravati, S; Sosso, G C; Behler, J; Bernasconi, M

Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires Journal Article

The Journal of Physical Chemistry C, 121 (42), pp. 23827–23838, 2017, ISSN: 1932-7447, 1932-7455.

Links | BibTeX

Fitzner, Martin; Joly, Laurent; Ma, Ming; Sosso, Gabriele C; Zen, Andrea; Michaelides, Angelos

Communication: Truncated non-bonded potentials can yield unphysical behavior in molecular dynamics simulations of interfaces Journal Article

The Journal of Chemical Physics, 147 (12), pp. 121102, 2017, ISSN: 0021-9606, 1089-7690.

Links | BibTeX

Shephard, Jacob J; Ling, Sanliang; Sosso, Gabriele C; Michaelides, Angelos; Slater, Ben; Salzmann, Christoph G

Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway? Journal Article

The Journal of Physical Chemistry Letters, 8 (7), pp. 1645–1650, 2017, ISSN: 1948-7185.

Links | BibTeX

Sosso, Gabriele Cesare; Caravati, Sebastiano; Rotskoff, Grant; Vaikuntanathan, Suriyanarayan; Hassanali, Ali

On the Role of Nonspherical Cavities in Short Length-Scale Density Fluctuations in Water Journal Article

The Journal of Physical Chemistry A, 121 (1), pp. 370–380, 2017, ISSN: 1089-5639, 1520-5215.

Links | BibTeX

Stay in touch with us via Twitter @SossoGroup

Gabriele teaches Statistical Mechanics – that branch of physics connecting the microscopic world (stuff best dealt with via Quantum Mechanics) and the macroscopic world (stuff described by Thermodynamics).

Incidentally, Statistical Mechanics also represents the theoretical foundations of much of the computational work taking place at DImEnsION @ Warwick…

On top of that, Gabriele will soon lecture about Thermodynamics as well, and he will also deliver part of a module ominously named “Advanced Computational Chemistry”.

Everything relevant to the Statistical Mechanics module can be found on Moodle Warwick, but check out our Teaching page for selected material…

Most importantly, do remember…

love stat mech

A number of opportunities to join DImEnsION @ Warwick are presently availabe:


Want to know more? Thinking about getting involved? Drop us a line at [email protected]