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While we expect quantum computers to surpass their classical counterparts in the future, current devices are prone to high error rates and techniques to minimise the impact of these errors are indispensable. There already exists a variety…

Recently, great attention has been paid to the possibility of implementing hybrid electronic devices exploiting the self-assembling properties of single molecules. Impressive progress has been done in this field by using organic molecules…

On-device training has become an increasingly popular approach to machine learning, enabling models to be trained directly on mobile and edge devices. However, a major challenge in this area is the limited memory available on these devices,…

Molecular optimization is a fundamental goal in the chemical sciences and is of central interest to drug and material design. In recent years, significant progress has been made in solving challenging problems across various aspects of…

Nanometer scale electronics present a challenge for the computer architect. These quantum devices have small gain and are difficult to interconnect. I have analyzed current device capabilities and explored two general design requirements…

A key to building functional devices on the basis of single molecule magnets in the framework of molecular electronics is the ability to deposit and study these molecules on a surface, because the structural, electronic and magnetic…

The majority of microelectromechanical system (MEMS) devices must be combined with integrated circuits (ICs) for operation in larger electronic systems. While MEMS transducers sense or control physical, optical or chemical quantities, ICs…

Replica Exchange (RE) simulations have emerged as an important algorithmic tool for the molecular sciences. RE simulations involve the concurrent execution of independent simulations which infrequently interact and exchange information. The…

Modular robots can be tailored to achieve specific tasks and rearranged to achieve previously infeasible ones. The challenge is choosing an appropriate design from a large search space. In this work, we describe a framework that…

Software re-modularization is an old preoccupation of reverse engineering research. The advantages of a well structured or modularized system are well known. Yet after so much time and efforts, the field seems unable to come up with…

This research paper is proposing the idea of pseudo code representation to molecular programming used in designing molecular electronics devices. Already the schematic representation of logical gates like AND, OR, NOT etc.from molecular…

Computational molecular design -- the endeavor to design molecules, with various missions, aided by machine learning and molecular dynamics approaches, has been widely applied to create valuable new molecular entities, from small molecule…

Error correction is essential for modern computing systems, enabling information to be processed accurately even in the presence of noise. Here, we demonstrate a new approach which exploits an error correcting phase that emerges in a system…

In this perspective, we examine three key aspects of an end-to-end pipeline for realistic cellular simulations: reconstruction and segmentation of cellular structures; generation of cellular structures; and mesh generation, simulation, and…

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

Molecular Communications (MC) is a bio-inspired communication technique that uses molecules to encode and transfer information. Many efforts have been focused on developing new modulation techniques for MC by exploiting distinguishable…

Molecular electronics is a fascinating area of research with the ability to tune device properties by a chemical tailoring of organic molecules. However, molecular electronics devices often suffer from dispersion and lack of reproducibility…

Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

The deployment of Quantized Neural Networks (QNNs) on resource-constrained edge devices, such as microcontrollers (MCUs), introduces fundamental challenges in balancing model performance, computational complexity, and memory constraints.…