Tunable Interlayer Charge-transfer States in MoSe$_2$/WS$_2$ Moiré Superlattices

Kavli Affiliate: Archana Raja| Summary:Moiré superlattices formed by transition metal dichalcogenide (TMD) heterobilayers provide a versatile platform for studying strongly correlated electronic, excitonic, and topological phenomena in solids. In particular, angle-aligned MoSe$_2$/WS$_2$ heterobilayers, which have a Type-I band alignment at zero vertical electric field, host rich correlated spin and charge physics. Here, combining large-scale first-principles […]


Continue.. Tunable Interlayer Charge-transfer States in MoSe$_2$/WS$_2$ Moiré Superlattices

Tracking thermal transport in colloidal quantum dot films using in-situ time-resolved X-ray diffraction

Kavli Affiliate: Paul Alivisatos | Summary:Colloidal quantum dots (QDs) and their thin-films are increasingly used in electronic and photonic devices replacing traditional bulk semiconductors. However, thermal properties of the QDs are comparatively underexplored relative to device development efforts. This study shows the use of time-resolved X-ray diffraction as a contact-free method to probe the thermal […]


Continue.. Tracking thermal transport in colloidal quantum dot films using in-situ time-resolved X-ray diffraction

Crystallographic Challenges in Microscopy of Multidomain Spinel Materials

Kavli Affiliate: Gerbrand Ceder| Summary:Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that are needed to understand their properties. Atomically resolved electron microscopy techniques have been routinely used to study the microstructure in high performing Mn-based oxide cathodes, which often contain spinel-like […]


Continue.. Crystallographic Challenges in Microscopy of Multidomain Spinel Materials

Crystallographic Challenges in Microscopy of Multidomain Spinel Materials

Kavli Affiliate: Gerbrand Ceder| Summary:Electron microscopy techniques are instrumental in the characterization of energy storage materials, with atomic resolution images providing the detailed structural features that are needed to understand their properties. Atomically resolved electron microscopy techniques have been routinely used to study the microstructure in high performing Mn-based oxide cathodes, which often contain spinel-like […]


Continue.. Crystallographic Challenges in Microscopy of Multidomain Spinel Materials

Linear and nonlinear vibrational excitation driven by molecular polaritons

Kavli Affiliate: Carlos Bustamante | Summary:Following our recent numerical study [arXiv:2601.16299 (2026)], we investigate vibrational excitation induced by transient optical driving in molecular ensembles strongly coupled to a cavity mode using the field-driven Holstein–Tavis–Cummings model. We analyze how pulsed excitation redistributes energy among electronic, photonic, and vibrational degrees of freedom in molecular polaritons. Vibrational dynamics […]


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An Investigation in the Kinetic Persistence of TiO$_2$ Polymorphs using Machine Learning Driven Pathfinding in Crystal Configuration Space

Kavli Affiliate: Kristin Persson | Summary:As the number of theoretically predicted materials continues to grow, it becomes increasingly important to assess not only their thermodynamic stability but also their kinetic viability under realistic synthesis conditions. In this study, we investigate the hypothesis that the kinetic persistence of a metastable polymorph is related to the topography […]


Continue.. An Investigation in the Kinetic Persistence of TiO$_2$ Polymorphs using Machine Learning Driven Pathfinding in Crystal Configuration Space

Generative design of inorganic materials

Kavli Affiliate: Gerbrand Ceder| Summary:Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via multi-modal learning using multiscale data. This perspective examines the landscape of generative design for inorganic materials and discusses the integration of […]


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Generative design of inorganic materials

Kavli Affiliate: Gerbrand Ceder| Summary:Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via multi-modal learning using multiscale data. This perspective examines the landscape of generative design for inorganic materials and discusses the integration of […]


Continue.. Generative design of inorganic materials

Generative design of inorganic materials

Kavli Affiliate: Gerbrand Ceder| Summary:Materials discovery is fundamental to advance next-generation technologies as well as for sustainable and circular economy. Beyond computational screening, generative models are efficient at finding materials with desired properties, via multi-modal learning using multiscale data. This perspective examines the landscape of generative design for inorganic materials and discusses the integration of […]


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Agentic LLM Reasoning in a Self-Driving Laboratory for Air-Sensitive Lithium Halide Spinel Conductors

Kavli Affiliate: Gerbrand Ceder| Summary:Self-driving laboratories promise to accelerate materials discovery. Yet current automated solid-state synthesis platforms are limited to ambient conditions, thereby precluding their use for air-sensitive materials. Here, we present A-Lab for Glovebox Powder Solid-state Synthesis (A-Lab GPSS), a robotic platform capable of synthesizing and characterizing air-sensitive inorganic materials under strict air-free conditions. […]


Continue.. Agentic LLM Reasoning in a Self-Driving Laboratory for Air-Sensitive Lithium Halide Spinel Conductors