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Machine learning (ML) has become widely used in the development of interatomic potentials for molecular dynamics simulations. However, most ML potentials are still much slower than classical interatomic potentials and are usually trained…

Materials Science · Physics 2024-08-29 Aslak Fellman , Jesper Byggmästar , Fredric Granberg , Kai Nordlund , Flyura Djurabekova

The atomic-scale response of inhomogeneous fluids at interfaces and surrounding solute particles plays a critical role in governing chemical, electrochemical and biological processes at such interfaces. Classical molecular dynamics…

Materials Science · Physics 2023-11-28 Kamron Fazel , Nima Karimitari , Tanooj Shah , Christopher Sutton , Ravishankar Sundararaman

Data center networks are experiencing unprecedented exponential growth, mostly driven by the continuous computing demands in machine learning and artificial intelligence algorithms. Within this realm, optical networking offers numerous…

Networking and Internet Architecture · Computer Science 2024-04-16 Zhenyun Xie , David Sánchez-Jácome , Luis Torrijos-Morán , Daniel Pérez-López

Photonic integrated circuits are facilitating the development of optical neural networks, which have the potential to be both faster and more energy efficient than their electronic counterparts since optical signals are especially…

Machine Learning · Computer Science 2023-03-07 Ali Cem , Siqi Yan , Yunhong Ding , Darko Zibar , Francesco Da Ros

The development of machine learning models has led to an abundance of datasets containing quantum mechanical (QM) calculations for molecular and material systems. However, traditional training methods for machine learning models are unable…

Microscopic optical potentials for nucleon-nucleus (NA) scattering obtained from the full folding of the effective g matrices, solutions of the Bruckner-Bethe-Goldstone equation, with the densities of the target, are applied to the case of…

Nuclear Theory · Physics 2009-11-07 S. Karataglidis , M. B. Chadwick

Machine Learning Potentials (MLPs) can enable simulations of ab initio accuracy at orders of magnitude lower computational cost. However, their effectiveness hinges on the availability of considerable datasets to ensure robust…

Machine Learning · Computer Science 2025-02-20 Sebastien Röcken , Julija Zavadlav

Machine-learned interatomic potentials are fast becoming an indispensable tool in computational materials science. One approach is the ephemeral data-derived potential (EDDP), which was designed to accelerate atomistic structure prediction.…

In recent years, machine learning interatomic potentials (MLIPs) have attracted significant attention as a method that enables large-scale, long-time atomistic simulations while maintaining accuracy comparable to electronic structure…

Materials Science · Physics 2025-03-27 Yuta Yoshimoto , Naoki Matsumura , Yuto Iwasaki , Hiroshi Nakao , Yasufumi Sakai

Future communication systems are faced with increased demand for high capacity, dynamic bandwidth, reliability and heterogeneous traffic. To meet these requirements, networks have become more complex and thus require new design methods and…

Machine Learning · Computer Science 2021-08-16 Dativa K. Tizikara , Jonathan Serugunda , Andrew Katumba

A comprehensive description of all single-particle properties associated with the nucleus ${}^{40}$Ca is generated by employing a nonlocal dispersive optical potential capable of simultaneously reproducing all relevant data above and below…

Nuclear Theory · Physics 2014-04-30 M. H. Mahzoon , R. J. Charity , W. H. Dickhoff , H. Dussan , S. J. Waldecker

This study presents the computational modeling and simulation of silver nanoparticle networks (NPNs), which, in the realm of neuromorphic computation, suggest to be a promising candidate for nontraditional computation methods. The modeling…

We outline ideas on desired properties for a new generation of effective core potentials (ECPs) that will allow valence-only calculations to reach the full potential offered by recent advances in many-body wave function methods. The key…

Moment Tensor Potentials (MTPs) are machine-learning interatomic potentials whose basis functions are typically selected using a level-based scheme that is data-agnostic. We introduce a post-training, cost-aware pruning strategy that…

Materials Science · Physics 2025-10-23 Zijian Meng , Karim Zongo , Matthew Thoms , Ryan Eric Grant , Laurent Karim Béland

We provide a global density-dependent $^4$He-nucleon (DD-$\alpha N$) interaction to construct the $\alpha$-nucleus optical model potential (OMP) in a wide range of incident energies. The global parametrization for the DD-$\alpha N$…

Nuclear Theory · Physics 2023-12-08 T. Furumoto , K. Tsubakihara , S. Ebata , W. Horiuchi

Optical microcombs represent a new paradigm for generating laser frequency combs based on compact chip-scale devices, which have underpinned many modern technological advances for both fundamental science and industrial applications. Along…

In recent years, several successful applications of the Artificial Neural Networks (ANNs) have emerged in nuclear physics and high-energy physics, as well as in biology, chemistry, meteorology, and other fields of science. A major goal of…

Machine-learning interatomic potentials have revolutionized materials modeling at the atomic scale. Thanks to these, it is now indeed possible to perform simulations of \abinitio quality over very large time and length scales. More…

Materials Science · Physics 2024-07-23 Haochen Yu , Matteo Giantomassi , Giuliana Materzanini , Junjie Wang , Gian-Marco Rignanese

Within the impulse approximation, the modeling of the energy of final state leptons in electron and neutrino quasielastic and pion production processes on nuclear targets in the region of the $\Delta$ resonance depends on several…

Nuclear Theory · Physics 2020-11-10 Arie Bodek , Tejin Cai

Enhancing optical nonlinearities so that they become appreciable on the single photon level and lead to nonclassical light fields has been a central objective in quantum optics for many years. After this has been achieved in individual…

Quantum Physics · Physics 2016-09-20 Michael J. Hartmann