News

Modelling NH3 density

After extensive hard work, the team has achieved the result presented in the figure, showing reasonable good agreement between measurements and simulations for the ammonia density at various hydrogen concentrations.
The measurements were obtained from in-situ FTIR at the Laboratoire de Physique des Plasmas (Palaiseau, France), and the simulations used the LisbOn KInetics (LoKI) simulation tool with the 18th version of a Chemistry Scheme for N2-H2 plasmas.
The working conditions are for a cylindrical DC plasma (no catalytic-walls), with 1cm radius and 54cm length, at pressures 199.5Pa and 665Pa, 40mA discharge current, and 7.4sccm gas flow.
27/08/2025 By Luís Lemos Alves

Web-based calculations using LoKI-B++

The C++ version of LoKI-B++ is now accessible through a standalone tool that allows users to perform web-based calculations. Each simulation generates a unique address containing a specific identifier for the input file.
This ensures that the exact same input conditions and cross-section data - obtained automatically through LXCat 3.0 - can be preserved and shared, enabling full reproducibility of the simulation.
Check THIS LINK to run swarm simulations in air.

30/07/2025 By Luís Lemos Alves

PSI.COM at ICPIG 2025

Project members attended the XXXVI International Conference on Phenomena in Ionized Gases (ICPIG) (20-25 July 2025, Aix-en-Provence, France).
We presented posters Modeling of N2-H2 DC discharges for ammonia production (LL Alves), Cross sections for H2 and NH3 relevant to N2-H2 plasma modelling (S Baghel), Progress report on the LoKI-B+C simulation tool (P Pereira) and Recent advances in reproducible plasma simulation: LXCat 3.0 and LoKI-B++ (D Boer, P Pereira, LL Alves).
The conference was an occasion to show the last results of project PSO.COM and to interact with several colleagues from the low-temperature plasmas community.

28/07/2025 By Luís Lemos Alves

Annual meeting 2025 of PSI.COM

The project annual meeting was held on June 18, 2025.
The meeting was attended by team members S Baghel, JP Booth, A Gonçalves, M Lino da Silva, L Marques, P Pereira, N Pinhão, O Guaitella and LL Alves, and consultants A Tejero-del-Caz, V Guerra and E Carbone.
Different team members delivered presentations, on the overview of tasks; the evolution of LoKI in terms of workflow, toolbox, and inputs with JSON and GUI; the status of experimental diagnostics and of modelling; the development of ML tools for the reduction of chemistry schemes; and a final extended discussion, also on the preparation of scientific output.

23/06/2025 By Luís Lemos Alves

PSI.COM joins MakerIST 2025

PSI.COM was present at MakerIST, an event jointly organised by the HackerSchool and Lounge IST that celebrated maker culture, bringing together enthusiasts of creation, technology, and Do-It-Yourself (DIY).
Luís L. Alves and Pedro Pereira participated in this event on June 4 at the Main Building of IST, where they presented the LisbOn KInetics (LoKI) code.
The presence of PSI.COM at MakerIST highlights the growing relevance of open-source tools in scientific research and education. The event was organised in a dynamic space for learning, sharing and creative experimentation, open to both the academic community and the general public.

11/06/2025 By Luís Lemos Alves

PSI.COM at ESCAMPIG 2024

Project members attended the Europhysics Conference on Atomic and Molecular Physics of Ionized Gases (ESCAMPIG) (9-13 July 2024, Brno, Czech Republic).
We presented posters The LisbOn KInetics LoKI-B+C simulation tool (LL Alves), Plasma-surface coupled modelling of ammonia production in DC discharges (S Baghel), and The 2024 status report on the LXCat project (LL Alves et al.).
We have also delivered the plenary lecture Global modelling of non-equilibrium low-temperature plasmas (LL Alves), where we have highlighted the development of LoKI and its future release as open-source code (tentative date 2025), as well as presented first results of the modelling of N2-H2 plasmas.
The conference was an occasion to interact with several colleagues from the low-temperature plasmas community.

14/07/2024 By Luís Lemos Alves

Annual meeting PSI.COM

The project annual meeting was held on July 1, 2024.
The meeting was attended by team members S Baghel, JP Booth, D Ferreira, M Lino da Silva, L Marques, J Martins, P Pereira, N Pinhão, O Guaitella and LL Alves, by consultants A Tejero-del-Caz, V Guerra and E Carbone, and by student A Henriques.
Different team members delivered presentations, on the overview of tasks; the evolution of LoKI in terms of workflow, output, and the development of utilities; the status of modelling and of experimental diagnostics; a review of hydrogen cross sections; the development of ML tools for the reduction of chemistry schemes; and the status of LXCat.
Each presentation was followed by a lively extended discussion.

02/07/2024 By Luís Lemos Alves

Visit of J van Dijk and D Boer to Lisbon

Jan van Dijk and Daan Boer (TU/e) visited IPFN/IST from June 24-27, 2024.
The visit marked a significant step in the preparation for the joint release of the LoKI-B C++ and new MATLAB versions as open-source software. The work focused on aligning the features of both versions to ensure consistency and functionality.
We have also discussed the integration of LoKI-B with the upcoming LXCat 3.0 open-access database. Scheduled for a tentative release in October, the new database will include capabilities for storing plasma chemistry mechanisms.
This collaboration underscores the ongoing commitment to advancing plasma research through open-source tools and comprehensive data integration.

28/06/2024 By Luís Lemos Alves

Start of meetings on LXCat

We have started regular meetings with colleagues from TU/e to follow the progress in the development of LXCat 3.0 and the connections to the LoKI tool.
The aim is to contribute to the development of a high-performance open-access data-storage library extending from cross sections to plasma chemistry.

02/02/2024 By Luís Lemos Alves

State-of-the art GPU installed and running

Our new NVIDIA RTX™ 6000 of the Ada Lovelace Generation is now installed and running in a workstation to be used in project simulations.
The RTX 6000 combines third-generation RT cores, fourth-generation Tensor Cores, and CUDA® cores with 48 GB of graphics memory to deliver unprecedented graphics, rendering, and AI performance.

26/10/2023 By Luís Lemos Alves

PSI.COM at the International School on Atomic and Molecular Data Evaluation and Curation

We presented a poster about the Lisbon KInetics (LoKI) tools and data at the first International School on Atomic and Molecular Data Evaluation and Curation (October 2023, Valladolid, Spain).
The school was an occasion to interact with members from the Atomic and Molecular Physics community, and in particular to discuss good practices for data / metadata standards and for data sharing via databases.

26/10/2023 By Luís Lemos Alves

Kick-off meeting of PSI.COM

The project kick-off meeting was held on July 4, 2023.
The meeting was attended by team members JP Booth, D Ferreira, L Marques, M Lino da Silva, N Pinhão, O Guaitella and LL Alves, and consultants A Tejero-del-Caz, V Guerra and Emile Carbone.
The meeting was organized with different presentations by the team members, to introduce the project, discuss the available experimental diagnostics, report on the current status of the LoKI simulation tool and the kinetic scheme, discuss possible ML approaches for sensitivity studies and chemistry schemes reduction, and introduce preliminary ideas on the organization of the LoKI data.
Each presentation was followed by a lively extended discussion.

19/07/2023 By Luís Lemos Alves

Participation in FAIR and OS webinar

We have participated in the webinar "How can academic publishing support FAIR and OS ?", where data science and physical science experts shared experiences and explored solutions to common barriers in ensuring data meet principles of findability, accessibility, interoperability and reusability (FAIR), and Open Science (OS).

10/02/2023 By Luís Lemos Alves