PSI.COM has strategic importance for the Modelling and Simulation (M&S) activities of the group N-PRiME (N-Plasmas Reactive: Modelling and Engineering, IPFN), since
(i) it gathers all N-PRiME senior members with expertise in M&S around the team leader, acting as PI, to engage on a challenging workplan on N2-H2, with high application potential;
(ii) it will enable the team to obtain tangible deliverables in the form of data and tools for plasma kinetics, to be made available to the community, in a structured professional manner;
(iii) it will consolidate our long lasting collaboration with LPP (Laboratoire de Physique des Plasmas, EP), to deploy the research methodology of model validation against experiments.

Luís Lemos ALVES (PI), IPFN/IST, Lisbon
He holds a PhD in Physics from Universidade Técnica de Lisboa and he is Full Professor with the Department of Physics of Instituto Superior Técnico. His field of work is the modelling and simulation of low-temperature plasmas. Over the years he has developed many different numerical codes, extending from the numerical solution of the electron Boltzmann equation to the development of multi-dimensional dynamic models for reactive gas/plasma systems. He is the PI behind the development of the LisbOn KInetics (LoKI) simulation tool

Olivier GUAITELLA (co-PI), LPP/Ecole Polytechnique, Palaiseau, France
He received his Ph.D. degree in 2006 on the study of plasma/photocatalyst interaction for indoor air treatment. His research activities are focused on the study of molecular plasma-surface interaction at "elevated" pressure, which corresponds to ranges from mbar to atmospheric pressure. This includes the study of ionization wave propagation on dielectric surfaces as well as the study of out-of-equilibrium vibrational kinetics of particular importance for PSI.COM. As an experimentalist, these subjects lead him to develop or adapt measurement methods to the in situ study of plasma in interaction with complex materials, catalytic or not. In particular, he makes extensive use of infrared absorption spectroscopy in the gas phase or on solid surfaces.

Nuno PINHÃO, IPFN/IST, Lisbon
He holds a PhD in Atomic and Molecular Physics from the Lisbon University and is an Assistant Researcher at IST, in the Department of Nuclear Sciences and Engineering. He divides his time between modelling and experimental work on low-temperature plasma. His interests are on the numerical solutions of the electron Boltzmann equation, cross sections, dry reforming of CH4 and CO2 conversion. He is the author of the chemical kinetics library PlasmaKin.

Carlos Daniel PINTASSILGO, IPFN/IST, Lisbon and FEUP, Porto
He holds a PhD in Physics from Université de Paris XI, France, and Instituto Superior Técnico, Universidade Técnica de Lisboa, Portugal. He is an Associate Professor at the Faculty of Engineering of the University of Oporto, and a member of the N-PRiME group of Instituto de Plasmas e Fusão Nuclear (IPFN). His research activities are the simulation of non-equilibrium plasmas, including DC, MW, RF, and pulsed discharges with a special focus on the coupling between electron and heavy species kinetics.

Jean-Paul BOOTH, LPP/Ecole Polytechnique, Palaiseau, France
He obtained a DPhil in physical chemistry from Oxford University, and is a research director at CNRS. His specialty is experimental studies of low-temperature plasmas in molecular gases, especially the chemical kinetics of transient gas-phase species. He has developed and exploited many plasma diagnostic techniques using optical spectroscopy, microwaves and electrical measurements, with a particular focus on laser spectroscopy (LIF, TALIF, and cavity ringdown spectroscopy). He has investigated many plasma chemistries, including fluorocarbons and halogens (for plasma etching), hydrogen and (most recently) oxygen. He is a fellow of the AVS, and was awarded the AVS Plasma Prize in 2019.

Luís Silvino MARQUES,Centro Física Universidades Minho e Porto, Porto
He holds a PhD in Physics from the Technical University of Lisbon and serves as an Assistant Professor in the Department of Physics at the University of Minho. His areas of expertise include the modeling and simulation of low-temperature plasmas and materials, with a focus on developing multi-dimensional models for capacitively-coupled radio frequency discharges. He was instrumental in the development of the LisbOn KInetics (LoKI) simulation tool, particularly in the development and validation of intricate N2-H2 kinetic schemes including surface chemistry.

Diogo FERREIRA, IPFN/IST, Lisbon
He is a professor of information systems at IST, University of Lisbon, and a researcher at IPFN, where he works on the applications of machine learning to plasma physics, especially in the area of nuclear fusion, with a focus on using GPU computing and deep learning for the analysis and processing of diagnostics data. He holds a PhD in Electrical and Computer Engineering from the University of Porto, and has taught extensively in the area of database systems.

Mário LINO DA SILVA, IPFN/IST, Lisbon
He is a professor of the Department of Physics of IST, University of Lisbon, and a researcher of IPFN. At IPFN he is the head of the Hypersonic Plasma Laboratory, hosting the European Shock Tube for High Enthalpy Research (ESTHER). He has experience in the development of simulation tools and web-access platforms.

Shubham Singh BAGHEL, Post-doc, IPFN/IST, Lisbon
He received the PhD in Physics from the Indian Institute of Technology (IIT) Roorkee in 2023. During the PhD, he worked on the study of electron-atom (ion) collisions and the modeling of low-temperature plasmas (LTPs). He calculated the electron excitation cross-sections of Ne, Mg and Si+2 atoms, from ground-state and from excited states, and he developed collisional-radiative models incorporating the calculated cross-sections for optical diagnostics of LTPs produced from different sources (rf, laser).
He is involved in different tasks of the project, viz. update of the N2-H2 plasma model, development and consolidation of LoKI tool suite for time-dependent simulations, and the development of Machine Learning algorithms for sensitivity analysis.

Pedro PEREIRA, Research Engineer, IPFN/IST, Lisbon
He is a researcher of IPFN. He holds a MSc in Electrical and Computer Engineering from IST, University of Lisbon, having completed his master's thesis on the subject of Transfer Learning Methods for Alzheimer's Disease Diagnosis.
He is involved in tasks related with the development of tools and ML algorithms, and the curation of data.

Armando GONÇALVES, MSc student, IPFN/IST, Lisbon
He is an Engineering Physics MSc student at IST doing his dissertation under the supervision of Prof. Luís L. Alves in N2-H2 low temperature plasma modelling and simulation.

Antonio TEJERO, Departamento de Física, Universidad de Córdoba, Spain
He holds a PhD in Materials and Energy, by the University of Córdoba (Spain), during which he has developed a parallelized PIC code (using GPGPU techniques under CUDA) for the contact of a low-temperature plasma with a Langmuir probe. He has been responsible for the general development of the LisbOn KInetics (LoKI) numerical tool, including the Boltzmann solver component (LoKI-B), the Chemistry solver component (LoKI-C) and its integration.

Vasco GUERRA, IPFN/IST, Lisbon
He holds a PhD in Physics from Universidade Técnica de Lisboa (IST), during which he carried out the kinetic study of glow discharges in N2-O2. His research focuses on the modeling of non-equilibrium kinetics of low-temperature molecular plasmas. In 2016 he was awarded the William Crookes Plasma Prize, co-sponsored by the European Physical Society and the Institute of Physics Publishing, "for the outstanding contribution to the modeling of molecular low-temperature plasmas." He is associate professor with Agregação at the Department of Physics of IST and member of the N-PRiME group of Instituto de Plasmas e Fusão Nuclear (IPFN).

Emile CARBONE, INRS, Montréal, Canada
He holds a PhD in Applied Physics, by the Eindhoven University of Technology (The Netherlands), during which he has studied microwave plasmas using both laser diagnostics and modelling. Since 2021 he holds a tenure-track position at the Institut National pour la Recherche Scientifique (INRS) in Montréal, Canada. Formely, he was the group leader of the Plasma-Gas-Conversion group, ITED division, with the Max-Planck Institute for Plasma Physics, Garching, Germany. His research activities include experimental and theoretical studies of microwave plasmas for CO2 valorization.

Diogo SIMÕES, MSc student, IPFN/IST, Lisbon
He was a MSc student in Engineering Physics at IST. He had experience in high-performance computing and particle-in-cell simulations, and his interests further included kinetic theory and simulation of PDE systems.

João MARTINS, BSc student, IPFN/IST, Lisbon
He was a bachelor's degree student who did a studentship in N2-H2 low temperature plasma modelling and simulation.