Condensed Matter Physics Theory Department
Universidad Autónoma de Madrid

Welcome to the GitHub page of SPMTH! We are a team of passionate researchers dedicated to ab-initio modeling of different problems in Materials Science and Nanotechnology involving forces and currents at the atomic scale.

Here, you will find our latest code implementations, tools that we have developed, and datasets related to our publications. Feel free to explore our repositories and contact us for any inquiries or collaborations.

• To be added soon.

• To be added soon.

Click here to list all the datasets.

• To be added soon.

Our work is focused on ab initio modeling of different problems in Materials Science and Nanotechnology that involve forces and currents at the atomic scale. In particular, we try to understand and develop new capacities for the essential tools in nanotechnology, such as scanning probe microscopes (SPMs), that enable us to use currents and forces to visualize and manipulate matter at the nanoscale. We work, in close collaboration with experimental groups worldwide, on topics such as:

1. Scanning Tunneling (STM) and Atomic Force (AFM) Microscopes: Atomic contrast, energy dissipation mechanisms and nanomanipulation.
2. Nanomechanics: Fracture, friction, and wear at the atomic scale. Mechanical and transport properties of nanocontacts.
3. Adsorption, reactivity, and self-organization of organic molecules on surfaces.
4. Reducible oxides for catalysis and energy harvesting applications.
5. Biomolecules: Multiscale studies of DNA and proteins in their native liquid environment.

• Hydrogen bonded trimesic acid networks on Cu(111) reveal how basic chemical properties are imprinted in HR-AFM images.
  • Percy Zahl, ..., Emiliano Ventura-Macias, Jaime Carracedo-Cosme, Carlos Romero-Muñiz, Pablo Pou, ..., Rubén Pérez
  • Nanoscale 13, 18473-18482 (2021)
  • doi: 10.1039/D1NR04471K

• Rubén Pérez (full professor)
• Pablo Pou (associate professor)
• Estefanía Fernandez Villanueva (postdoc)
• Emiliano Ventura-Macias (postdoc)
• Manuel González Lastre (PhD student)
• Jara Trujillo Mulero (PhD student)

For any inquiries or collaborations, feel free to reach out to ruben.perez [at] uam.es.