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We introduce a theoretical approach based on scattering theory and total energy methods that treats transport non-linearities, conformational changes and charging effects in molecular wires in a unified way. We apply this approach to…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Eldon Emberly , George Kirczenow

High-throughput synthesis of solution-processable structurally variable small-molecule semiconductors is both an opportunity and a challenge. A large number of diverse molecules provide a possibility for quick material discovery and machine…

Transformers generate valid and diverse chemical structures, but little is known about the mechanisms that enable these models to capture the rules of molecular representation. We present a mechanistic analysis of autoregressive…

Machine Learning · Computer Science 2025-12-11 Kristof Varadi , Mark Marosi , Peter Antal

Quantum error correction codes are usually designed to correct errors regardless of their physical origins. In large-scale devices, this is an essential feature. In smaller-scale devices, however, the main error sources are often…

Quantum Physics · Physics 2020-06-05 David Layden , Louisa Ruixue Huang , Paola Cappellaro

Molecular communication (MC) is a concept in communication engineering, where diffusive molecules are used to transmit information between nano or micro-scale chemical reaction systems. Engineering MC to control the reaction systems in…

Systems and Control · Electrical Eng. & Systems 2024-04-01 Shoichiro Kitada , Taishi Kotsuka , Yutaka Hori

Understanding of charge transport mechanisms in nanoscale structures is essential for the development of molecular electronic devices. Charge transport through 1D molecular systems connected between two contacts is influenced by several…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Daijiro Nozaki , Horacio M. Pastawski , Gianaurelio Cuniberti

The random demodulator is a recent compressive sensing architecture providing efficient sub-Nyquist sampling of sparse band-limited signals. The compressive sensing paradigm requires an accurate model of the analog front-end to enable…

Information Theory · Computer Science 2013-03-26 Pawel Jerzy Pankiewicz , Thomas Arildsen , Torben Larsen

Chemical multisensor devices need calibration algorithms to estimate gas concentrations. Their possible adoption as indicative air quality measurements devices poses new challenges due to the need to operate in continuous monitoring modes…

Artificial Intelligence · Computer Science 2020-02-14 S. De Vito , E. Esposito , M. Salvato , O. Popoola , F. Formisano , R. Jones , G. Di Francia

Organic synthesis is one of the key stumbling blocks in medicinal chemistry. A necessary yet unsolved step in planning synthesis is solving the forward problem: given reactants and reagents, predict the products. Similar to other work, we…

Chemical Physics · Physics 2019-09-13 Philippe Schwaller , Teodoro Laino , Théophile Gaudin , Peter Bolgar , Costas Bekas , Alpha A Lee

Assemblies of modular subsystems are being pressed into service to perform sensing, reasoning, and decision making in high-stakes, time-critical tasks in such areas as transportation, healthcare, and industrial automation. We address the…

Machine Learning · Computer Science 2019-05-15 Aditya Modi , Debadeepta Dey , Alekh Agarwal , Adith Swaminathan , Besmira Nushi , Sean Andrist , Eric Horvitz

We propose the possibilities of designing nano-scale rectifiers using mesoscopic rings. A single mesoscopic ring is used for half-wave rectification, while full-wave rectification is achieved using two such rings and in both cases each ring…

Mesoscale and Nanoscale Physics · Physics 2010-08-17 Santanu K. Maiti

Reconstruction of the mandible is one of the most common challenges facing maxillofacial surgeons. The mandible plays a major role in supporting the teeth inside the mouth. This work aims to develop a proposed methodology for improving…

Medical Physics · Physics 2021-06-30 Nabeel I. Allawi

One of the ultimate goals of molecular electronics is to create technologies that will complement - and eventually supersede - Si-based microelectronics technologies. To reach this goal, electronic properties that mimic at least some of the…

Mesoscale and Nanoscale Physics · Physics 2015-06-26 Bingqian Xu , Yonatan Dubi

Metal-organic frameworks (MOFs) symbolize the particular class of hybrid crystalline, nano-porous materials made of either discrete metal ions or clusters with organic linkers. Past studies on MOFs-based materials largely focused on…

Materials Science · Physics 2022-06-28 Ranjeev Kumar Parashar , Priyajit Jash , Prakash Chandra Mondal

Increasing AI computing demands and slowing transistor scaling have led to the advent of Multi-Chip-Module (MCMs) based accelerators. MCMs enable cost-effective scalability, higher yield, and modular reuse by partitioning large chips into…

Hardware Architecture · Computer Science 2025-05-06 Ritik Raj , Shengjie Lin , William Won , Tushar Krishna

The intrinsic modularity and reconfigurability of modular reconfigurable robots (MRR) confer advantages such as versatility, fault tolerance, and economic efficacy, thereby showcasing considerable potential across diverse applications. The…

Robotics · Computer Science 2023-10-17 Guanqi Liang , Di Wu , Yuxiao Tu , Tin Lun Lam

In machine learning and molecular design, there exist two approaches: discriminative and generative. In the discriminative approach dubbed forward design, the goal is to map a set of features/molecules to their respective electronics…

Chemical Physics · Physics 2019-04-24 Alain Tchagang , Julio Valdés

Deep neural network has recently shown very promising applications in different research directions and attracted the industry attention as well. Although the idea was introduced in the past but just recently the main limitation of using…

Signal Processing · Electrical Eng. & Systems 2019-04-16 Amin Abbasloo , Alan Salari

Modular design maximizes utility by using standardized components in large-scale systems. From a manufacturing perspective, it supports green technology by reducing material waste and improving reusability. Industrially, it offers economic…

Emerging Technologies · Computer Science 2025-03-18 Sumin Lee , Namwoo Kang

The quality and correct functioning of software components embedded in electronic systems are of utmost concern especially for safety and mission-critical systems. Model-based testing and formal verification techniques can be employed to…

Formal Languages and Automata Theory · Computer Science 2019-01-08 Shahbaz Ali , Hailong Sun , Yongwang Zhao