Natural language processing models that automate programming will transform chemistry research and teaching

GM Hocky, AD White - Digital discovery, 2022 - pubs.rsc.org
Natural language processing models have emerged that can generate useable software
and automate a number of programming tasks with high fidelity. These tools have yet to …

Flexible MXene/bacterial cellulose film sound detector based on piezoresistive sensing mechanism

T Su, N Liu, D Lei, L Wang, Z Ren, Q Zhang, J Su… - ACS …, 2022 - ACS Publications
Flexible pressure sensors have aroused extensive attention in health monitoring, human–
computer interaction, soft robotics, and more, as a staple member of wearable electronics …

[HTML][HTML] Top 20 influential AI-based technologies in chemistry

VP Ananikov - Artificial Intelligence Chemistry, 2024 - Elsevier
The beginning and ripening of digital chemistry is analyzed focusing on the role of artificial
intelligence (AI) in an expected leap in chemical sciences to bring this area to the next …

ChemPix: automated recognition of hand-drawn hydrocarbon structures using deep learning

H Weir, K Thompson, A Woodward, B Choi, A Braun… - Chemical …, 2021 - pubs.rsc.org
Inputting molecules into chemistry software, such as quantum chemistry packages, currently
requires domain expertise, expensive software and/or cumbersome procedures. Leveraging …

Interactive quantum chemistry enabled by machine learning, graphical processing units, and cloud computing

U Raucci, H Weir, S Sakshuwong… - Annual Review of …, 2023 - annualreviews.org
Modern quantum chemistry algorithms are increasingly able to accurately predict molecular
properties that are useful for chemists in research and education. Despite this progress …

Bringing chemical structures to life with augmented reality, machine learning, and quantum chemistry

S Sakshuwong, H Weir, U Raucci… - The Journal of Chemical …, 2022 - pubs.aip.org
Visualizing 3D molecular structures is crucial to understanding and predicting their chemical
behavior. However, static 2D hand-drawn skeletal structures remain the preferred method of …

Quantum network tomography of Rydberg arrays by machine learning

K Mukherjee, J Schachenmayer, S Whitlock… - arXiv preprint arXiv …, 2024 - arxiv.org
Configurable arrays of optically trapped Rydberg atoms are a versatile platform for quantum
computation and quantum simulation, also allowing controllable decoherence. We …

Human–device interaction in the life science laboratory

R Söldner, S Rheinländer, T Meyer, M Olszowy… - Smart Biolabs of the …, 2022 - Springer
The interaction of the human user with equipment and software is a central aspect of the
work in the life science laboratory. The enhancement of the usability and intuition of software …

[HTML][HTML] Electronic structure simulations in the cloud computing environment

EJ Bylaska, A Panyala, NP Bauman, B Peng… - The Journal of …, 2024 - pubs.aip.org
The transformative impact of modern computational paradigms and technologies, such as
high-performance computing (HPC), quantum computing, and cloud computing, has opened …

[PDF][PDF] Artificial Intelligence Chemistry

VP Ananikov - Artificial Intelligence, 2024 - researchgate.net
The beginning and ripening of digital chemistry is analyzed focusing on the role of artificial
intelligence (AI) in an expected leap in chemical sciences to bring this area to the next …