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Molecular dynamics simulations are a cornerstone in science, allowing to investigate from the system's thermodynamics to analyse intricate molecular interactions. In general, to create extended molecular trajectories can be a…

Computational Physics · Physics 2022-06-22 Ludwig Winkler , Klaus-Robert Müller , Huziel E. Sauceda

Recent advances in nanofluidics have enabled the confinement of water down to a single molecular layer. Such monolayer electrolytes show promise in achieving bio-inspired functionalities through molecular control of ion transport. However,…

Soft Condensed Matter · Physics 2021-09-08 Paul Robin , Nikita Kavokine , Lydéric Bocquet

The potential of memristive devices is often seeing in implementing neuromorphic architectures for achieving brain-like computation. However, the designing procedures do not allow for extended manipulation of the material, unlike CMOS…

Emerging Technologies · Computer Science 2016-04-25 Shari Lim Wei , Eleni Vasilaki , Ali Khiat , Iulia Salaoru , Radu Berdan , Themistoklis Prodromakis

We demonstrate a machine learning based approach which can learn the time-dependent electronic excitation dynamics of small molecules subjected to ion irradiation. Ensembles of recurrent neural networks are trained on data generated by…

Chemical Physics · Physics 2024-09-24 Ethan P. Shapera , Cheng-Wei Lee

The transfer tensor method is a versatile tool for analyzing and propagating general open quantum systems. It captures in a compact manner all memory effects in a non-Markovian system through a straightforward transformation of a set of…

This study concerns with the dynamics of a quantum neural network unit in order to examine the suitability of simple neural computing tasks. More specifically, we examine the dynamics of an interacting spin model chosen as a candidate of a…

Quantum Physics · Physics 2017-11-23 Deniz Türkpençe , Tahir Çetin Akıncı , Serhat Şeker

Deciphering the underpinnings of the dynamical processes leading to information transmission, processing, and storing in the brain is a crucial challenge in neuroscience. An inspiring but speculative theoretical idea is that such dynamics…

Statistical Mechanics · Physics 2023-07-21 Guillermo B. Morales , Serena Di Santo , Miguel A. Muñoz

This study investigates how dynamical systems may be learned and modelled with a neuromorphic network which is itself a dynamical system. The neuromorphic network used in this study is based on a complex electrical circuit comprised of…

Disordered Systems and Neural Networks · Physics 2025-10-24 Yinhao Xu , Georg A. Gottwald , Zdenka Kuncic

This study presents the design, fabrication, and test of a micro accelerometer with intrinsic processing capabilities, that integrates the functions of sensing and computing in the same MEMS. The device consists of an inertial mass…

Emerging Technologies · Computer Science 2020-03-25 Bruno Barazani , Guillaume Dion , Jean-François Morissette , Louis Beaudoin , Julien Sylvestre

We present a simple and scalable implementation of next-generation reservoir computing (NGRC) for modeling dynamical systems from time-series data. The method uses a pseudorandom nonlinear projection of time-delay embedded inputs, allowing…

Machine Learning · Statistics 2026-01-12 Rok Cestnik , Erik A. Martens

Reservoir computing (RC) is an effective method for predicting chaotic systems by using a high-dimensional dynamic reservoir with fixed internal weights, while keeping the learning phase linear, which simplifies training and reduces…

Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…

Chemical Physics · Physics 2026-01-22 Salman N. Salman , Sergey A. Shteingolts , Ron Levie , Dan Mendels

Reservoir Computing offers a great computational framework where a physical system can directly be used as computational substrate. Typically a "reservoir" is comprised of a large number of dynamical systems, and is consequently…

Chaotic Dynamics · Physics 2022-05-11 Swarnendu Mandal , Sudeshna Sinha , Manish Dev Shrimali

The supervised machine learning (ML) approach is applied to realize the trajectory-based nonadiabatic dynamics within the framework of the symmetrical quasi-classical dynamics method based on the Meyer-Miller mapping Hamiltonian (MM-SQC).…

Quantum Physics · Physics 2022-07-13 Kunni Lin , Jiawei Peng , Chao Xu , Feng Long Gu , Zhenggang Lan

With the prevalence of in-database AI-powered analytics, there is an increasing demand for database systems to efficiently manage the ever-expanding number and size of deep learning models. However, existing database systems typically store…

Databases · Computer Science 2025-09-16 Siqi Xiang , Sheng Wang , Xiaokui Xiao , Cong Yue , Zhanhao Zhao , Beng Chin Ooi

Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via…

Computational Physics · Physics 2022-08-08 Denghui Lu , Wanrun Jiang , Yixiao Chen , Linfeng Zhang , Weile Jia , Han Wang , Mohan Chen

Spintronic nanodevices have ultrafast nonlinear dynamic and recurrence behaviors on a nanosecond scale that promises to enable spintronic reservoir computing (RC) system. Here two physical RC systems based on a single magnetic skyrmion…

Emerging Technologies · Computer Science 2020-10-28 Wencong Jiang , Lina Chen , Kaiyuan Zhou , Liyuan Li , Qingwei Fu , Youwei Du , Ronghua Liu

In 2008, researchers at the Hewlett-Packard (HP) laboratories claimed to have found an analytical physical model for a genuine memristor device [1]. The model is considered for a thin TiO_2 film containing a region which is highly…

Mesoscale and Nanoscale Physics · Physics 2012-08-01 Paul Meuffels , Rohit Soni

A fundamental challenge is to understand nonequilibrium statistical mechanics starting from microscopic chaos in the equations of motion of a many-particle system. In this review we summarize recent theoretical advances along these lines.…

Chaotic Dynamics · Physics 2010-01-04 R. Klages

We investigate the nature of memory effects in the non-Markovian dynamics of spin boson models. Local quantum memory criteria can be used to indicate that the reduced dynamics of an open system necessarily requires a quantum memory in its…

Quantum Physics · Physics 2026-05-06 Charlotte Bäcker , Valentin Link , Walter T. Strunz