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SIESTA logo.

Just released! SIESTA 5.4.2 enhances performance and reliability for materials simulations

17 December 2025

We are excited to announce the release of SIESTA 5.4.2, the second point release of the SIESTA 5.4 series. This update introduces targeted improvements in

Promotional image for a HiPEAC conference in Krakow, Poland, on January 20, 2025, from 10:00 to 17:30 CET, focusing on rethinking scientific applications for exascale and emerging architectures.

Rethinking Scientific Applications for Exascale and Emerging Architectures: CoE Workshop at HiPEAC 2026

15 December 2025

On January 27, the Centres of Excellence will meet at HiPEAC 2026 to discuss HPC and Quantum applications for next-generation architectures, fostering collaboration within the

Professor Nicola Marzari receives the 2025 Feynman Prize in Theory

9 December 2025

MaX is pleased to share that Professor Nicola Marzari, long-standing MaX partner and leading figure in computational materials science, has been awarded the 2025 Feynman

Exterior view of the America's Center in St. Louis, advertising the SC25 international conference on high-performance computing, with the "MaX Event: Driving the Exascale Transition" logo on the left.

MaX at SC25: A Look Back at Our Presence in St. Louis

25 November 2025

From 16 to 21 November 2025, MaX Centre of Excellence was presented at SC25 – the International Supercomputing Conference, held this year in St. Louis,

A promotional graphic for the SIESTA School 2025. On the right, a large Zoom-style collage shows many participants in individual video-call windows, each framed with their displayed name labels. On the left, the graphic includes the SIESTA logo, the MaX ‘Driving the Exascale Transition’ logo, and the word ‘News.’ At the bottom right, a label reads ‘SIESTA School 2025.

SIESTA School 2025: Event Review and Key Takeaways

24 November 2025

From 17 to 21 November 2025, MaX Centre of Excellence, together with the Catalan Institute of Nanoscience and Nanotechnology (ICN2) and CECAM, hosted the SIESTA

Exterior shot of the Sorbonne University, a neoclassical building with a large, ornate facade, central arched entrance, and a domed roof topped with a cross, with a clock on the facade. Trees are in the foreground, with urban buildings and a cloudy sky in the background.

Advancing Materials Innovation with YAMBO at HANAMI–CECAM Workshop 2025

16 November 2025

From 3 to 7 November 2025, Sorbonne Université in Paris hosted the workshop “Materials Science from First Principles: Materials Scientist Toolbox 2025”, co-organised by HANAMI

Exterior shot of the Sorbonne University, a neoclassical building with a large, ornate facade, central arched entrance, and a domed roof topped with a cross, with a clock on the facade. Trees are in the foreground, with urban buildings and a cloudy sky in the background.

SIESTA at Sorbonne University: Enabling Scalable Materials Design

14 November 2025

At the Materials Science from First Principles: Materials Scientist Toolbox workshop (3–7 November 2025, Sorbonne University, Paris), MaX partners Prof. Pablo Ordejón and Dr. Anthoni

Nicola Marzari Receives the 2026 APS David Adler Lectureship Award

10 November 2025

Nicola Marzari, a leading figure in computational materials science and a long-standing member of the MaX Centre of Excellence, has been honoured by the American

Stefano Baroni Awarded the 2026 Aneesur Rahman Prize for Computational Physics

6 November 2025

MaX CoE congratulates Professor Stefano Baroni on this outstanding achievement and thanks him for his lasting contributions to computational physics and open scientific collaboration. MaX

CASTIEL 2 Launches the HPC in Europe Portal: A Unified Gateway to European Supercomputing

3 November 2025

CASTIEL 2 launches the HPC in Europe Portal, gathering EU-funded HPC resources, training, and expertise in one platform to enhance accessibility, collaboration, and visibility within

Transport coefficients from equilibrium molecular dynamics

1 October 2025

A new HPC-driven method for accurate estimation of transport coefficients in complex materials. Understanding how heat, charge, and mass move through materials is essential for

Strengthening collaboration: CASTIEL2 – EuroCC2 – EuroCC4SEE “All-Hands Meeting” in Tallinn

25 September 2025

The CASTIEL2 – EuroCC2 – EuroCC4SEE “All-Hands Meeting” gathered the NCCs and the CoEs to strengthen collaboration, share strategies, and advance the European HPC and

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MaX – Materials design at the eXascale has received funding from the European High Performance Computing Joint Undertaking and Participating Countries in Project (Czechia, France, Germany, Italy, Slovenia, and Spain) under grant agreement no. 101093374.

Views and opinions expressed are however those of the author(s) only and do not necessarily reflect those of the European High Performance Computing Joint Undertaking. Neither the European Union nor the granting authority can be held responsible for them.

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