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The discovery and design of functional molecules remain central challenges across chemistry,biology, and materials science. While recent advances in machine learning have accelerated molecular property prediction and candidate generation,…

Artificial Intelligence · Computer Science 2026-03-11 Haibin Wen , Zhe Zhao , Fanfu Wang , Tianyi Xu , Hao Zhang , Chao Yang , Ye Wei

To achieve scalable universal quantum computing, we need to implement a universal set of logical gates fault-tolerantly, for which the main difficulty lies with non-Clifford gates. We demonstrate that several characteristic features of the…

Quantum Physics · Physics 2025-02-04 Yi-Fei Wang , Yixu Wang , Yu-An Chen , Wenjun Zhang , Tao Zhang , Jiazhong Hu , Wenlan Chen , Yingfei Gu , Zi-Wen Liu

We report on the fault-tolerant operation of logical qubits on a neutral atom quantum computer, with logical performance surpassing physical performance for multiple circuits including Bell states (12x error reduction), random circuits…

Two-qubit logical gates are proposed on the basis of two atoms trapped in a cavity setup. Losses in the interaction by spontaneous transitions are efficiently suppressed by employing adiabatic transitions and the Zeno effect. Dynamical and…

Quantum Physics · Physics 2009-11-07 Jiannis Pachos , Herbert Walther

Experimental demonstrations of quantum annealing with native implementation of Boolean logic Hamiltonians are reported. As a superconducting integrated circuit, a problem Hamiltonian whose set of ground states is consistent with a given…

This chapter presents a quantum computing-based approach to study and harness neuronal correlates of mental activity for the development of Brain-Computer Interface (BCI) systems. It introduces the notion of a logic of the mind, where…

Emerging Technologies · Computer Science 2021-01-19 Eduardo Reck Miranda

In this work, we report on a novel quantum gate approximation algorithm based on the application of parametric two-qubit gates in the synthesis process. The utilization of these parametric two-qubit gates in the circuit design allows us to…

Quantum Physics · Physics 2022-11-16 Péter Rakyta , Zoltán Zimborás

Living substrates are capable for nontrivial mappings of electrical signals due to the substrate nonlinear electrical characteristics. This property can be used to realise Boolean functions. Input logical values are represented by amplitude…

Emerging Technologies · Computer Science 2021-08-12 Nic Roberts , Andrew Adamatzky

We suggest a combined atomic/molecular system for quantum computation, which takes advantage of highly developed techniques to control atoms and recent experimental progress in manipulation of ultracold molecules. We show that two atoms of…

Quantum Physics · Physics 2015-05-14 Elena Kuznetsova , Marko Gacesa , Susanne F. Yelin , Robin Côté

The cold atom qubit platform emerges as an attractive choice for the next stage of quantum computation research, where a special family of synthetic analytical pulses has considerably improved the experimental performance of…

Quantum Physics · Physics 2024-11-18 Xin Wang , Tianze Sheng , Yuan Sun

The information age challenges computer technology to process an exponentially increasing computational load on a limited energy budget - a requirement that demands an exponential reduction in energy per operation. In digital logic…

We solve the Jaynes-Cummings Hamiltonian with time-dependent coupling parameters under dipole and rotating-wave approximation for a three-dimensional (3D) photonic crystal (PC) single mode cavity with a sufficiently high quality (Q) factor.…

Quantum Physics · Physics 2015-06-26 Durdu Ö. Güney , David A. Meyer

We present a constructive SAT-based algorithm to determine the multiplicative complexity of a Boolean function, i.e., the smallest number of AND gates in any logic network that consists of 2-input AND gates, 2-input XOR gates, and…

Data Structures and Algorithms · Computer Science 2020-05-06 Mathias Soeken

Transversal logical gates offer the opportunity for fast and low-noise logic, particularly when interspersed by a single round of parity check measurements of the underlying code. Using such circuits for the surface code requires decoding…

Quantum Physics · Physics 2026-02-23 Marc Serra-Peralta , Mackenzie H. Shaw , Barbara M. Terhal

We show how a quantum computer can be employed to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment…

Quantum Physics · Physics 2017-08-14 Markus Reiher , Nathan Wiebe , Krysta M Svore , Dave Wecker , Matthias Troyer

Circuit discovery has gradually become one of the prominent methods for mechanistic interpretability, and research on circuit completeness has also garnered increasing attention. Methods of circuit discovery that do not guarantee…

Machine Learning · Computer Science 2025-09-26 Hang Chen , Jiaying Zhu , Xinyu Yang , Wenya Wang

By uncovering the contrast between Artificial Intelligence and Natural-born Intelligence as a computational process, we define closed computing and open computing, and implement open computing within chemical reactions. This involves…

Artificial Intelligence · Computer Science 2025-09-03 Yukio-Pegio Gunji , Andrew Adamatzky , Panagiotis Mougkogiannis , Andrei Khrenikov

Solving computer-aided synthesis planning is essential for enabling fully automated, robot-assisted synthesis workflows and improving the efficiency of drug discovery. A key challenge, however, is bridging the gap between computational…

Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally…

Stateful logic is a digital processing-in-memory technique that could address von Neumann memory bottleneck challenges while maintaining backward compatibility with standard von Neumann architectures. In stateful logic, memory cells are…

Emerging Technologies · Computer Science 2023-01-02 Barak Hoffer , Nicolás Wainstein , Christopher M. Neumann , Eric Pop , Eilam Yalon , Shahar Kvatinsky