Papers citing Accelerated chemical science with AI
Miniaturized Supercritical Fluid Chromatography Coupled with Ion Mobility Spectrometry: A Chip-Based Platform for Rapid Chiral and Complex Mixture Analysis
Analytical Chemistry · 2025-04-05
Julius Schwieger, Klaus Welters, Christian Thoben, Alexander Nitschke, Stefan Zimmermann, Detlev Belder
Read original paper ↗ ·Optimal transport for generating transition states in chemical reactions
Nature Machine Intelligence · 2025-04-23
Chenru Duan, Guan-Horng Liu, Yuanqi Du, Tianrong Chen, Qiyuan Zhao, Haojun Jia, Carla Pedro Gomes, Evangelos A. Theodorou, Heather J. Kulik
Read original paper ↗ ·Designing a large language model for chemists
Patterns · 2025-05-01
Xiaoyi Chen, Haixu Tang
Read original paper ↗ ·Artificial Intelligence at the Crossroads of Engineering and Innovation
Computing&AI Connect · 2025-05-06
Federica Palazzo, Giovanni Zambetta, Stefano Palazzo
Read original paper ↗ ·Implementation of reinforcement learning for enhanced pressure control in a 190,000-barrel crude distillation unit: The first full-scale commercial deployment
Engineering Applications of Artificial Intelligence · 2025-05-26
Dongchan Seo, Dongil Kim, Dong‐Il Kim, Hyoeun Son, Yusung Kim
Read original paper ↗ ·Connecting metal-organic framework synthesis to applications using multimodal machine learning
Nature Communications · 2025-07-01
Sartaaj Takrim Khan, Seyed Mohamad Moosavi
Read original paper ↗ ·Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models
Journal of the American Chemical Society · 2025-07-03
Jieyu Lü, Zhangde Song, Qiyuan Zhao, Yuanqi Du, Yirui Cao, Haojun Jia, Chenru Duan
Read original paper ↗ ·Energy-GNoME: A living database of selected materials for energy applications
Energy and AI · 2025-09-17
Paolo De Angelis, Giulio Barletta, Giovanni Trezza, Pietro Asinari, Eliodoro Chiavazzo
Read original paper ↗ ·Robotic system takes chemistry into hyperspace
Nature · 2025-09-24
William E. Robinson
Read original paper ↗ ·Seamless integration of legacy robotic systems into a self-driving laboratory via NIMO: a case study on liquid handler automation
Science and Technology of Advanced Materials Methods · 2025-09-24
Ryo Tamura, Hiromichi Taketa, Satoshi Murata, Daisuke Ryuno, Tomotaka Yokota, Koji Tsuda, Shôichi Matsuda
Read original paper ↗ ·Synthesis-Aware Materials Redesign via Large Language Models
Journal of the American Chemical Society · 2025-10-06
Jaehwan Choi, Seong-Min Kim, Yousung Jung
Read original paper ↗ ·Learning Multidimensional Electronegativity of Selected Atom Types in Organic Molecules Using Graph Neural Networks
ACS Omega · 2025-10-09
Da Bean Han, Gyoung S. Na, Hyunwoo Kim
Read original paper ↗ ·A survey of AI-supported materials informatics
Computer Science Review · 2025-10-17
Sanjay Chakraborty, Jonas Björk, Martin Dahlqvist, Johanna Rosen, Fredrik Heintz
Read original paper ↗ ·FastCat: Autonomous Discovery of Multielement Layered Double Hydroxide Alloy Catalysts for Alkaline Oxygen Evolution Reaction
Advanced Intelligent Discovery · 2025-12-07
Nis Fisker‐Bødker, Enzo Raffaele Moretti, Jin Hyun Chang, Tejs Vegge
Read original paper ↗ ·Accelerating catalytic advancements through the precision of high-throughput experiments & calculations
Digital Discovery · 2026-01-01
Jenny G. Vitillo, Alán Aspuru‐Guzik, Eric J. Doskocil, Omar K. Farha, Timur İslamoğlu, Heather J. Kulik, Peter M. Margl, Stuart Miller, Jordan C. T. Reddel, Aayush R. Singh, Varinia Bernales
Read original paper ↗ ·Environment-Aware Multi-Agent Framework for Self-Driving Laboratories
IEEE Transactions on Automation Science and Engineering · 2026-01-01
Hongxiang Xue, Wen Zheng, Shiwei Lin, Yi Wang, Lei Bao, Xiumei Wang
Read original paper ↗ ·Harnessing generative AI for efficient organic materials discovery in low-data regimes
Digital Discovery · 2026-01-01
Jun Hyeong Kim, Kyung-Hoon Lee, Hyeonsu Kim, MinSoo Kang, Suk-Ku Chang, Yinglan Jin, Dongwook Kim, Woo Youn Kim
Read original paper ↗ ·Evaluating In‐Context Learning in Large Language Models for Molecular Property Regression
Journal of Computational Chemistry · 2026-01-15
Chan Young Joe, Kyungwoo Song, Rakwoo Chang
Read original paper ↗ ·Analyzing the influence of technological proximity between research institutions and their common partners on performance of academic collaborative publications—evidence from Chinese cloud computing sector
Scientometrics · 2026-02-11
Yuepeng Li
Read original paper ↗ ·Кристаллохимия в эпоху цифровой трансформации
ANALYTICS Russia · 2026-02-13
И.В. Ананьев
Read original paper ↗ ·Exploring the limitations of kNN noisy feature detection and recovery for self-driving labs
Machine Learning Science and Technology · 2026-02-16
Qiuyu Shi, Kangming Li, Yao Fehlis, RUNZE ZHANG, Daniel Persaud, Robert W. Black, Jason R. Hattrick-Simpers
Read original paper ↗ ·Pondering the Future of Chemical Research Amid the Wider Adoption of Artificial Intelligence Technologies
Chemistry - A European Journal · 2026-02-18
Daniil A. Boiko, Mikhail V. Polynski
Read original paper ↗ ·Generative Active Learning Discovers High-Performance O2 Reduction Catalysts for H2O2 Production
ACS Catalysis · 2026-03-16
Dong Hyeon Mok, Yunfang Yan, Gwonho Yu, Yuanhao Li, Kun Jiang, Seoin Back
Read original paper ↗ ·AI in Composite Overwrapped Pressure Vessels: A Review and Advanced Roadmap from Materials Design to Predictive Maintenance
Journal of Composites Science · 2026-03-23
Lyazid Bouhala, Séverine Perbal
Read original paper ↗ ·BB-EIT: A Generalized Prediction Model for Protein Adsorption on Polymer Brushes Using Augmented Chemical Embeddings
ACS Applied Materials & Interfaces · 2026-04-06
Shiwei Su, Nobuyuki Tanaka, Yoshitaka Ushiku, Koichi Takahashi
Read original paper ↗ ·Machine-Learning-Guided Discovery of CH 4 Combustion Catalysts Operating in the Presence of SO 2
Journal of the American Chemical Society · 2026-04-10
Yuan Jing, Kah Wei Ting, Junxian Qin, Katsuya Yamada, Daichi Tajima, Akihiko Anzai, Shinya Mine, Ryo Toyoshima, Hiroshi Kondoh, Ichigaku Takigawa, Ken‐ichi Shimizu, Takashi Toyao
Read original paper ↗ ·Experimental High‐Throughput Electrochemistry
ChemElectroChem · 2026-04-21
Jens N. Noack
Read original paper ↗ ·MEP-CNN: A visual and explainable machine learning framework for explosive molecule classification based on molecular electrostatic potentials
Artificial Intelligence Chemistry · 2026-05-16
Rubens C. Souza, Nathália M.P. Rosa, Júlio César Duarte, Matheus Máximo‐Canadas, Itamar Borges
Read original paper ↗ ·Artificial Intelligence- and Machine Learning-Driven Strategies for Catalyst Design and Sustainable Chemical Processes
Processes · 2026-06-09
Amra Bratovčić, Vesna Tomašić
Read original paper ↗ ·The impact of open data on research productivity and academic collaboration: A systematic literature review (2021–2025)
Journal of Information Science · 2026-06-13
Anas Hashim Alahdal, Noor Zaidi Sahid, Ahmad Nadzri Mohamad, Hussin Ali Daqal
Read original paper ↗ ·Artificial intelligence in the design and optimization approach of microextraction techniques: A critical review and future perspectives
Green Analytical Chemistry · 2026-06-25
Seyedeh Bentolhoda Hosseinian, Milad Ghani, Jahan Bakhsh Raoof
Read original paper ↗ ·Enhancing Generalization in Synthesizability Prediction of Structurally Dissimilar Materials
Journal of Chemical Information and Modeling · 2026-07-09
Seongmin Kim, S Kwon, Jiwoo Choi, Yousung Jung
Read original paper ↗ ·MACReD: A Multi-Agent Collaborative Reasoning Framework for Reaction Diagram Parsing
ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD) · 2026-08-06
Chuang Tang, Chenhao Lin, Yin Xu, Hao Wang, Jinrui Zhou, Xin Li, Mingjun Xiao, Enhong Chen
Read original paper ↗ ·Structured HTE Data and Integrated Bayesian Optimization Accelerate Scalable Amidation Process Development
ACS Organic & Inorganic Au · 2026-08-17
Jason M. Stevens, Dung L. Golden, Nikki Dare, Shubhangi Aggarwal, David Del Valle, Stacey DiSomma, Michael C. Eng, A.H. Furman, Lauren Grant, Diane Hendrix, Bilal Hoblos, Jiajie Huo, Mikalai Malashchonak, Ketleine Miller, Emily Mumford, Cheng Peng, Lingxiang Lu, Donggeon Nam, F. E. ROBERTS, Victor W. Rosso, Eric M. Saurer, Sushant Singh, Dmitriy Snetkov, Anton Terekh, Alexander E. Waked, Michael Williams, Chengmin Zhang
Read original paper ↗ ·Integrating Mechanistic Knowledge into Machine Learning Enables Improved Reaction Prediction in Low‐Data Regimes
Chemistry - A European Journal · 2026-09-23
Thibaud Mabit, François‐Xavier Felpin
Read original paper ↗ ·Artificial Intelligence in the Preparation of Scientific Articles
Russian Chemical Reviews · 2026-09-30
Sergei Mikhailovich Aldoshin, Valentine P. Ananikov, I. P. Beletskaya, A. A. Berlin, Ludmila B. Boinovich, Valerii Ivanovich Bukhtiyarov, Andrey A. Voshkin, Yulia G. Gorbunova, К. В. Григорович, Usein Memetovich Dzhemilev, Mikhail Petrovich Egorov, И.Л. Еременко, Vladimir K. Ivanov, Stepan Nikolaevich Kalmykov, Vladimir P. Kolotov, Anton Lvovich Maximov, Aziz M. Muzafarov, Boris F. Myasoedov, Oleg Gerol'dovich Sinyashin, K. A. Solntsev, Alexei R. Khokhlov, Aslan Yu. Tsivadze, Alexander A. Yaroslavov, A. B. Yaroslavtsev
Read original paper ↗ ·