Publications de Francisco Fernando Ramirez

Autonomous Battery Optimization by Deploying Distributed Experiments and Simulations

Giovanni Pizzi, Francisco Fernando Ramirez

Non-trivial relationships link individual materials properties to device-level performance. Device optimization therefore calls for new automation approaches beyond the laboratory bench with tight integration of different research methods. This study demon ...

2024

A bridge between trust and control: computational workflows meet automated battery cycling

Nicola Marzari, Corsin Battaglia, Giovanni Pizzi, Sebastiaan Philippe Huber, Loris Ercole, Francisco Fernando Ramirez

Compliance with good research data management practices means trust in the integrity of the data, and it is achievable by full control of the data gathering process. In this work, we demonstrate tooling which bridges these two aspects, and illustrate its u ...

Royal Society of Chemistry2024

Brokering between tenants for an international materials acceleration platform

Giovanni Pizzi, Ivano Eligio Castelli, Francisco Fernando Ramirez

The efficient utilization of resources in accelerated materials science necessitates flexible, reconfigurable software-defined research workflows. We demonstrate a brokering approach to modular and asynchronous research orchestration to integrate multiple ...

CELL PRESS2023

Virtual Computational Chemistry Teaching Laboratories-Hands-On at a Distance

Nicola Marzari, Giovanni Pizzi, Iurii Timrov, Marnik Bercx, Samuel Poncé, Christoph Leopold Talirz, Francisco Fernando Ramirez

The COVID-19 pandemic disrupted chemistry teaching practices globally as many courses were forced online, necessitating adaptation to the digital platform. The biggest impact was to the practical component of the chemistry curriculum-the so-called wet lab. ...

AMER CHEMICAL SOC2021

AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and data provenance

Nicola Marzari, Giovanni Pizzi, Nicolas Frank Mounet, Martin Uhrin, Andrea Cepellotti, Boris Kozinsky, Fernando Gargiulo, Christoph Leopold Talirz, Leonid Kahle, Aliaksandr Yakutovich

The ever-growing availability of computing power and the sustained development of advanced computational methods have contributed much to recent scientific progress. These developments present new challenges driven by the sheer amount of calculations and d ...

2020