ATMOS research group at INMA
@atmos-at-inma.bsky.social
We are the Theory, Modeling and Simulation group (ATMOS) at the Instituto de Nanociencia y Materiales de Aragón (INMA). Our team covers the full spectrum of computational materials science, from quantum models to predictive atomistic simulations.
Ready to learn all about the institute's activities in 2025 at this year's INMA retreat, and in a most fantastic setting, to boot! @inmadivulga.bsky.social
December 18, 2025 at 8:27 AM
Ready to learn all about the institute's activities in 2025 at this year's INMA retreat, and in a most fantastic setting, to boot! @inmadivulga.bsky.social
Yesterday we had the first edition of our ATMOS day, with six interesting presentations by some of the younger members of the group and a nice lunch together. A great way to get to know what everyone is working on and generate synergies.
December 16, 2025 at 2:47 PM
Yesterday we had the first edition of our ATMOS day, with six interesting presentations by some of the younger members of the group and a nice lunch together. A great way to get to know what everyone is working on and generate synergies.
An exciting collaboration between experiment and theory has resulted in this PRX Energy paper exploring the lattice dynamics and diffusion mechanisms in a garnet-type solid electrolyte, with a view to explaining its remarkably low thermal conductivity.
doi.org/10.1103/6wj2...
doi.org/10.1103/6wj2...
Origin of Intrinsically Low Thermal Conductivity in a Garnet-Type Solid Electrolyte: Linking Lattice and Ionic Dynamics with Thermal Transport
Using a comprehensive experimental and computational approach, this work analyzes the intrinsically low thermal conductivity of solid ionic conductor Li${}_{6.5}$La${}_{3}$Zr${}_{1.5}$Ta${}_{0.5}$O${}...
doi.org
July 24, 2025 at 7:06 AM
An exciting collaboration between experiment and theory has resulted in this PRX Energy paper exploring the lattice dynamics and diffusion mechanisms in a garnet-type solid electrolyte, with a view to explaining its remarkably low thermal conductivity.
doi.org/10.1103/6wj2...
doi.org/10.1103/6wj2...
New collaborative paper in Advanced Functional Materials showing how to achieve dynamic control of the thermal conductivity of BaTiO3 through illumination, harnessing a phase transition by photoinduced charge injection: doi.org/10.1002/adfm...
Optical Control of the Thermal Conductivity in BaTiO3
Light-driven manipulation of thermal conductivity in archetypal ferroelectric, BaTiO3, offers a novel and effective approach for the dynamical control of the heat flux, with potential applications in...
doi.org
July 3, 2025 at 2:25 PM
New collaborative paper in Advanced Functional Materials showing how to achieve dynamic control of the thermal conductivity of BaTiO3 through illumination, harnessing a phase transition by photoinduced charge injection: doi.org/10.1002/adfm...
Juan's (almost) last paper of his PhD has been selected as an Editor's Suggestion in PRB. This work presents the rigorous linear response theory for cavity QED materials.
Linear response theory for cavity QED materials at arbitrary light-matter coupling strengths
The authors develop a linear response theory for materials collectively coupled to a cavity that is valid in all regimes of light-matter coupling, including symmetry-broken phases. The response functi...
journals.aps.org
February 12, 2025 at 5:01 PM
Juan's (almost) last paper of his PhD has been selected as an Editor's Suggestion in PRB. This work presents the rigorous linear response theory for cavity QED materials.
Juan supervised Víctor's TFG. They collaborated with Sebas and Manu. PRB published their work. Analytical theory and transformer-based quantum Monte Carlo simulations characterize the phases of long-range antiferromagnetic models.
First- and second-order quantum phase transitions in the long-range unfrustrated antiferromagnetic Ising chain
We study the ground-state phase diagram of an unfrustrated antiferromagnetic Ising chain with longitudinal and transverse fields in the full range of interactions: from all-to-all to nearest-neighbors...
journals.aps.org
February 12, 2025 at 4:59 PM
Juan supervised Víctor's TFG. They collaborated with Sebas and Manu. PRB published their work. Analytical theory and transformer-based quantum Monte Carlo simulations characterize the phases of long-range antiferromagnetic models.
Sebastián's paper "Transformer wave function for quantum long-range models" has been published in PRB. In it we show how a machine-learning architecture based on the vision transformer can efficiently model both ferromagnetic and antiferromagnetic ground states in those systems.
Transformer wave function for quantum long-range models
We employ a neural-network architecture based on the vision transformer (ViT) architecture to find the ground states of quantum long-range models, specifically the transverse-field Ising model for spi...
doi.org
November 29, 2024 at 10:00 AM
Sebastián's paper "Transformer wave function for quantum long-range models" has been published in PRB. In it we show how a machine-learning architecture based on the vision transformer can efficiently model both ferromagnetic and antiferromagnetic ground states in those systems.