Research
Research
Research
Research
28,154+ open-access research outputs.
Crystal structure optimization is fundamental to materials modeling but remains computationally expensive when performed with density-functional theory (DFT). Machine-learning (ML) approaches offer su…
Quantum computers, currently in the noisy intermediate-scale quantum (NISQ) era, have started to provide scientists with a novel tool to explore quantum physics and chemistry. While several electronic…
We present SM-Net, a machine-learning model that learns a continuous spectral manifold from multiple high-resolution stellar libraries. SM-Net generates stellar spectra directly from the fundamental s…
In recent years, the application of machine learning to physics has been actively explored. In this paper, we study a method for estimating the ground-state energy of quantum Hamiltonians by applying …
We study a simplified model of monoclonal antibodies confined in a patchy random porous medium. Antibodies are represented as Y-shaped particles composed of seven tangential hard spheres with attracti…
The scalar potential of any particle-physics model must be bounded from below (BFB). We consider the extension of the Standard electroweak Model with three $SU(2)$ doublets of scalars and a symmetry u…
Polymers are attractive in applications like flexible electronics and thermal interface materials due to their mechanical compliance and processability. However, conventional polymers have low thermal…
We establish an information-theoretic scaling law for generic autoregressive neural quantum states, determined by the middle-cut mutual information of the wavefunction amplitude. By formalizing the vi…
Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their structure and chemic…
Generative quantum machine learning models are trained to deduce the probability distribution underlying a given dataset, and to produce new, synthetic samples from it. The majority of such models pro…
Materials identification and structural understanding from powder X-ray diffraction (PXRD) data is a long-standing challenge in materials science, fundamental to discovering and characterizing novel m…
We propose a novel clustering approach for point-cloud segmentation based on supervised contrastive metric learning (CML). Rather than predicting cluster assignments or object-centric variables, the m…
High-entropy alloys (HEAs) and their two-dimensional counterparts (2D-HEAs) have recently attracted attention due to their tunable properties and catalytic potential, yet their chemical complexity mak…
Generalization is a central concept in machine learning theory, yet for quantum models, it is predominantly analyzed through uniform bounds that depend on a model's overall capacity rather than the sp…
We examine the validity of classical energy conditions in nonsingular bouncing cosmological solutions arising in quadratic curvature gravity minimally coupled to a scalar field. Focusing on the null, …
In complex engineering systems such as electro-thermal-fluid coupling, rapid and accurate prediction of multi-physics fields is essential for advanced applications like digital twins and real-time con…
The Random Forest model is one of the popular models of Machine learning. We present a quantum algorithm for testing (forecasting) process of the Random Forest machine learning model for the Regressio…
We present a search for muon neutrino disappearance in the Booster Neutrino Beam (BNB) at Fermilab using the ICARUS detector. Neutrino interactions identified as muon neutrinos interacting with argon …
Carbon-electrode-based PSC devices are stressed under 1 Sun equivalent illumination in a stability setup, and different scan-speed dependent current-voltage (J-V) curves are measured during aging. The…
In the current world, the use of artificial intelligence is penetrating every aspect of human life. The basic element of any artificial intelligence is a digital neuron, called a perceptron, while its…
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