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Characterization and control of the transverse phase space of high-brightness electron beams is required at free-electron lasers or electron diffraction experiments for emittance measurement and beam optimization as well as at advanced…
Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride ($\mathrm{PdH}_x$) nanocrystals are an ideal model system for studying…
By using phase retrieval, Bragg Coherent Diffractive Imaging (BCDI) allows tracking of three-dimensional displacement fields inside individual nanocrystals. Nevertheless, in the presence of significant (1% and higher) strains, such as in…
Autonomous science platforms which make decisions on the fly are fundamentally changing the outlook for materials development. AI-driven schemes can effectively reduce the total number of iterations needed to arrive at the best…
Conventional generative models for materials discovery are predominantly trained and validated using data from Density Functional Theory (DFT) with approximate exchange-correlation functionals. This creates a fundamental bottleneck: these…
In search of the potential cathode materials for sodium-ion batteries and to understand the diffusion kinetics, we report the detailed analysis of electrochemical investigation of honeycomb structured Na$_{2}$Ni$_{2}$TeO$_{6}$ material…
Understanding and controlling nanoparticle coalescence is crucial for applications ranging from catalysis to nanodevice fabrication, yet the behavior of nanoparticles on dynamically evolving, heterogeneous substrates remains poorly…
Achieving deterministic control over the properties of low-dimensional materials with nanoscale precision is a long-sought goal. Mastering this capability has a transformative impact on the design of multifunctional electrical and optical…
Controlling the Mott transition through strain engineering is crucial for advancing the development and application of memristive and neuromorphic computing devices. Yet, Mott insulators are heterogeneous due to intrinsic phase boundaries…
Attosecond chemistry involves developing strategies to manipulate electronic coherent waves in molecules, which can influence the outcome of photoinduced reactions. While recent progress in this field calls for investigations of…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
We provide a brief review of how phase space techniques are explored within strong-field and attosecond science. This includes a broad overview of the existing landscape, with focus on strong-field ionisation and rescattering, high-order…
We investigate laser-driven electron dynamics in solids on the atomic scale and in real space within Floquet formalism, and develop a method based on subcycle-resolved x-ray-optical wave mixing to reconstruct those dynamics. We analyze how…
Strongly correlated materials that exhibit an insulator-metal transition are key candidates in the search for new computing platforms. Understanding the pathways and timescales underlying the electrically-driven insulator-metal transition…
We build a transient multidimensional multiphysical model based on continuum theories, involving the coupled mechanical, thermal and electrochemical phenomena occurring simultaneously in the discharge or charge of lithium-ion batteries. The…
Materials underpin modern technologies, from energy harvesting, storage, and conversion to information and communication technologies. Their functionality is often governed by the interplay between competing phases, as thermodynamic…
Artificial intelligence (AI) is influencing heterogeneous catalysis research by accelerating simulations and materials discovery. A key frontier is integrating AI with multiscale models and multimodal experiments to address the…
Tailoring the nanomorphology of organic photoactive layers through a specialized chain of processing steps is an imperative challenge on the path towards reliable and performant organic electronic manufacturing. This hurdle generally proves…
By means of Monte Carlo simulations on a kinetic model, we demonstrate that the efficiency of a photoinduced phase change can in general be enhanced drastically by using a superstructure of an appropriate combination of two components. This…
Understanding electrochemical phenomena at complex liquid solid interfaces requires linking real time structural dynamics with atomic scale interfacial chemistry. Here, we integrate operando synchrotron X-ray fluorescence and diffraction…