Layer-Controlled Intermolecular Coupling and Many-Body Effects in C$_60$ Films

Posted by klaurent Berkeley, This Week: Nanoscience

Kavli Affiliate: Alessandra Lanzara | Summary:Crystalline C$_60$ is a molecular solid whose electronic properties emerge from the interplay of intermolecular hopping, electron correlations, and electron-vibration coupling. Unlike moir$rmacutee$ van der Waals heterostructures, where interaction strength is commonly tuned by twist angle, molecular materials offer a complementary route in which layer number, molecular orientation, and substrate […]


Continue.. Layer-Controlled Intermolecular Coupling and Many-Body Effects in C$_60$ Films

uMOF: A Universal Database, Benchmark, and Machine Learning Interatomic Potentials for Metal-Organic Frameworks

Posted by klaurent Berkeley, This Week: Nanoscience

Kavli Affiliate: Kristin Persson | Summary:Foundation machine learning interatomic potentials (MLIPs) deliver near-ab-initio accuracy at a fraction of the computational cost, yet their promise for Metal-organic Frameworks (MOFs) remains largely unrealized as large unit cells make first-principles training data expensive to generate, fine-tuned models are scarce, and experimentally grounded benchmarks are scarcer still. We introduce […]


Continue.. uMOF: A Universal Database, Benchmark, and Machine Learning Interatomic Potentials for Metal-Organic Frameworks

Entropy Production Bounds the Accuracy of Computation in Markov Networks

Posted by klaurent Berkeley, This Week: Nanoscience

Kavli Affiliate: David T. Limmer | Summary:Biological and artificial networks compute by transforming time-dependent inputs into functional outputs. Because the internal state of a stochastic network relaxes on finite timescales, its output generally lags behind a changing environment, producing computational errors. We show that for reversible continuous-time Markov networks the error admits a universal thermodynamic […]


Continue.. Entropy Production Bounds the Accuracy of Computation in Markov Networks

Strange Metal Hall Effect in Underdoped BaFe$_2$(As$_1-x$P$_x$)$_2$

Posted by klaurent Berkeley

Kavli Affiliate: James Analytis| Summary:The unusual transport properties of strange metals point to the breakdown of the quasiparticle picture, the understanding of which remains one of the most vexing problems in physics. Here, we report investigations of the electrical Hall effect of the strange metal superconductor BaFe$_2$(As$_1-x$P$_x$)$_2$. We show that a doping-independent contribution to the […]


Continue.. Strange Metal Hall Effect in Underdoped BaFe$_2$(As$_1-x$P$_x$)$_2$

Local Structure and Dynamics of Three-Dimensional Covalent Organic Frameworks

Posted by klaurent Berkeley

Kavli Affiliate: Omar M. Yaghi | Summary:Resolving and controlling the local dynamical properties of covalent organic frameworks (COFs) remains a central challenge, particularly when assembled from large, flexible building units. Here, we combine synchrotron X-ray pair distribution function (PDF) analyses with machine learning-accelerated molecular dynamics (MD) simulations to resolve the local structure and dynamics of […]


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Improved Measurement Cost Scaling in the Nonorthogonal Quantum Eigensolver

Posted by klaurent Berkeley

Kavli Affiliate: Birgitta Whaley | Summary:Quantum subspace diagonalization methods are promising algorithms for quantum chemistry on near-term quantum computers. These methods can estimate low-lying energies of molecular systems using shallow quantum circuits, at the cost of many circuit repetitions to estimate the projected matrix elements. Errors in these matrix elements can be converted into much […]


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Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Posted by klaurent Berkeley

Kavli Affiliate: Gerbrand Ceder| Summary:X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-driven analysis because they are embedded in figures and described through fragmented textual context in the literature. Here, we use multimodal (image and text) literature mining to transform […]


Continue.. Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Posted by klaurent Berkeley

Kavli Affiliate: Gerbrand Ceder| Summary:X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-driven analysis because they are embedded in figures and described through fragmented textual context in the literature. Here, we use multimodal (image and text) literature mining to transform […]


Continue.. Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Posted by klaurent Berkeley

Kavli Affiliate: Gerbrand Ceder| Summary:X-ray absorption spectroscopy (XAS) is central to understanding the local electronic and atomic structure of materials, yet most published spectra remain inaccessible to data-driven analysis because they are embedded in figures and described through fragmented textual context in the literature. Here, we use multimodal (image and text) literature mining to transform […]


Continue.. Harnessing X-ray Absorption Spectroscopy Data through Multimodal Mining of Battery Literature

Self-adjoint extensions of $k$-photon light-matter Hamiltonians

Posted by klaurent Berkeley

Kavli Affiliate: Felix Fischer | Summary:Multiphoton light-matter interactions, in which a bosonic mode exchanges $k$ excitations at a time with a quantum system, are a source of genuine nonlinearity in quantum optics and are increasingly accessible experimentally. Here we study the class of operators $H = H_rm matotimes I + Iotimesωa^ast a + Σotimes(a^ast)^k + […]


Continue.. Self-adjoint extensions of $k$-photon light-matter Hamiltonians