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We propose the use of quantum dots formed in a semiconductor nanocolumn for the realization of charge or spin based quantum bits. The radial carrier confinement is achieved by employing conformal overgrowth, while multiple segmented gates…
Developers of Molecular Dynamics (MD) codes face significant challenges when adapting existing simulation packages to new hardware. In a continuously diversifying hardware landscape it becomes increasingly difficult for scientists to be…
We review models and approaches for error-control in order to prevent the buildup of noise when gates for digital chemical and biomolecular computing based on (bio)chemical reaction processes are utilized to realize stable, scalable…
Quantum computers are expected to be able to solve mathematical problems that cannot be solved using conventional computers. Many of these problems are of practical importance, especially in the areas of cryptography and secure…
Any large-scale spiking neuromorphic system striving for complexity at the level of the human brain and beyond will need to be co-optimized for communication and computation. Such reasoning leads to the proposal for optoelectronic…
We report a method to convert discrete representations of molecules to and from a multidimensional continuous representation. This model allows us to generate new molecules for efficient exploration and optimization through open-ended…
A proposal for a magnetic quantum processor that consists of individual molecular spins coupled to superconducting coplanar resonators and transmission lines is carefully examined. We derive a simple magnetic quantum electrodynamics…
Artificial magnetic molecules can contribute to progressing towards large scale quantum computation by: a) integrating multiple quantum resources and b) reducing the computational costs of some applications. Chemical design, guided by…
In order to continuously represent molecules, we propose a generative model in the form of a VAE which is operating on the 2D-graph structure of molecules. A side predictor is employed to prune the latent space and help the decoder in…
Molecular representation learning has become a central approach in AI-driven drug discovery, yet existing molecular tokenizations such as SMILES remain largely syntactic and do not naturally align with chemically meaningful substructures.…
Large-scale molecular representation methods have revolutionized applications in material science, such as drug discovery, chemical modeling, and material design. With the rise of transformers, models now learn representations directly from…
The electronic conduction of a novel, three-terminal molecular architecture, analogous to a heterojunction bipolar transistor is studied. In this architecture, two diode arms consisting of donor-acceptor molecular wires fuse through a ring,…
Spin qubits offer one of the most promising routes to the implementation of quantum computers. Very recent results in semiconductor quantum dots show that electrically-controlled gating schemes are particularly well-suited for the…
We demonstrate a molecular rectifying junction made from a sequential self-assembly on silicon. The device structure consists of only one conjugated (p) group and an alkyl spacer chain. We obtain rectification ratios up to 37 and threshold…
The applications of terahertz metamaterials are being actively explored in recent times for applications in high-speed communication devices, miniature photonic circuits, and bio-chemical devices because of their wide advantages. The…
Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through…
Artificial Neural Networks are uniquely adroit at machine learning by processing data through a network of artificial neurons. The inter-neuronal connection weights represent the learnt Neural Program that instructs the network on how to…
Pulse-width modulation is a nice way to create pseudo analog outputs from a microcontroller (eg, an Arduino), which is limited to digital output signals. The quality of the analog output signal depends on the filter one uses to average out…
In previous work, we have shown that pseudocodewords can be used to characterize the behavior of decoders not only for classical codes but also for quantum stabilizer codes. With the insights obtained from this pseudocodewords-based…
There are many ways to represent a molecule as input to a machine learning model and each is associated with loss and retention of certain kinds of information. In the interest of preserving three-dimensional spatial information, including…