Next-Generation Experimentation with Self-Driving Laboratories

Häse, Florian, Roch, Loïc M., Aspuru-Guzik, Alán·2019·Trends in Chemistry
DOI 10.1016/j.trechm.2019.02.007

Cited by (427)

Items 301–400 of 427

  1. Advanced and functionalized biomass-derived carbon materials for energy conversion, storage, and smart systems: Synthesis strategies, structure–property relationships, and AI integration
    Basiru O. Yusuf, Mansur Aliyu, Ijaz Hussain, Mustapha Umar, Aliyu Musa Alhassan, Yahuza Nantomah Abdulai, Jamilu Nura Musa, Esraa Kotob, Omer Ahmed Taialla, Ismail Abdulazeez et al. · 2026 · Biomass and Bioenergy
  2. Reasoning BO: Enhancing Bayesian Optimization With the Reasoning Power of LLMs
    Zhuo Yang, Daolang Wang, Lingli Ge, Beilun Wang, Tianfan Fu, Yuqiang Li · 2026 · Materials Genome Engineering Advances
  3. AI-driven battery materials innovation for AIDC energy storage
    Qi Wang, Yang Xu, Yiwen Zhang, Xi Yin, Yue Chu, Jun Zhang, Quan‐Hong Yang · 2026 · Energy and AI
  4. Advances in automated microfluidic platforms with inline metrology and machine learning for the design, synthesis, and optimization of core–shell microstructures
    Vijila Chellappan, Keyu Chen, Brindha Ramasubramanian, Jiaming You, Sourav Mitra, G. Vinitha, Maciej Koperski · 2026 · Materials Today Chemistry
  5. Artificial intelligence-driven nanomaterial design and applications: advances, challenges, and future directions
    Yakubu Adekunle Alli, Lukman Shehu Mustapha, Francis Mekunye, Olaoluwa John Adeleke, Terfa Jude Igba, Nelson Oshogwue Etafo, Victor D. Aderibigbe, Sreedeep Dey, Haulison Kojo Yayoh, Kehinde Shola Obayomi et al. · 2026 · New Journal of Chemistry
  6. Agentic Artificial Intelligence in Chemical Engineering, Process Systems Engineering, and Process Control: A Systematic Review of Emerging Perspectives and Challenges
    Aníbal Alviz-Meza, Alejandro Valencia-Arias, Segundo Rojas-Flores, Félix Díaz · 2026 · Processes
  7. AI tool makes phase identification crystal clear
    Wenhao Q. Sun, Michael F. Toney · 2021 · Nature Computational Science
  8. First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems
    Gerardo Valadez Huerta, Yūsuke Nanba, Nor Diana Binti Zulkifli, David Samuel Rivera Rocabado, Takayoshi Ishimoto, Michihisa Koyama · 2021 · Journal of Computer Chemistry Japan
  9. Sodobne perspektive družbe: Umetna inteligenca na stičišču znanosti
    Janez Bregant, Boris Aberšek, Bojan Borstner · 2022
  10. Development and Application of Intelligent Laboratory Management System
    Yang Xu, Shunhong Yan, Tongtong Lin, Bolin Chen, Aiguo Dong · 2024 · IEEE International Conference on Image Processing and Computer Applications (ICIPCA)
  11. Toward Autonomous Materials Intelligence: A Human–AI–Physics Framework for Discovering, Optimizing, and Validating Next-Generation Materials
    Yousef Al-Qahtani, Fahad Al-Salem, Abdullah Al-Harbi · 2024 · Journal of Artificial Intelligence for Materials Science
  12. Determining the Activity Series with the Fewest Experiments Using Sorting Algorithms
    Joshua Schrier, Michael Tynes, Lillian Cain · 2021 · Journal of Chemical Education
  13. Standardisierung und Kontrolle von Grignard‐Reaktionen mittels Online‐NMR in einer universellen chemischen Syntheseplattform
    Martin Bornemann‐Pfeiffer, Jakob B. Wolf, Klas Meyer, Simon Kern, Davide Angelone, Artem I. Leonov, Leroy Cronin, Franziska Emmerling · 2021 · Angewandte Chemie
  14. Impact of Blended Approach on Second Year Home Economics Students’ Biology Practical Achievement in Two Districts of Oti Region, Ghana
    Samuel Klu, Yaw Ameyaw, WHK Hordzi · 2021 · International Journal of Sciences
  15. Machine learning for quantum physics and quantum physics for machine learning
    Patrick Huembeli · 2021
  16. Advancing the Pareto front for thin-film materials using a self-driving laboratory
    Benjamin P. MacLeod, Fraser G. L. Parlane, Connor C. Rupnow, Kevan E. Dettelbach, Michael S. Elliott, Thomas D. Morrissey, Ted H. Haley, Oleksii Proskurin, Michael B. Rooney, Nina Taherimakhsousi et al. · 2021 · arXiv (Cornell University)
  17. Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset
    Sagi Eppel, Haoping Xu, Mor Bismuth, Alán Aspuru‐Guzik · 2020 · ChemRxiv
  18. An Affordable Platform for Automated Synthesis and Electrochemical Characterization
    Sergio Pablo‐García, A. Garcı́a, Gun Deniz Akkoc, Malcolm Sim, Yang Cao, Maxine Somers, Chance Hattrick, Naruki Yoshikawa, Dominik Dworschak, Han Hao et al. · 2024 · SSRN Electronic Journal
  19. LiCOMPGNN - Lightweight Contextual Message Passing for Crystalline Materials Property Prediction
    Zachary Humphreys, Xenophon Evangelopoulos, Stavros Gerolymatos, Edward O. Pyzer‐Knapp, Andrew Ian Cooper · 2024 · ChemRxiv
  20. Lessons learned from device modeling of organic & perovskite solar cells
    Vincent Le Corre · 2021
  21. The Role of Molecular Modeling & Simulation in the Discovery and Deployment of Metal-Organic Frameworks for Gas Storage and Separation
    Árni Sturluson, Melanie T. Huynh, Alec R. Kaija, Caleb Laird, Sunghyun Yoon, Feier Hou, Zhenxing Feng, Christopher E. Wilmer, Yamil J. Colón, Yongchul G. Chung et al. · 2019 · ChemRxiv
  22. Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Dataset
    Sagi Eppel, Haoping Xu, Mor Bismuth, Alán Aspuru‐Guzik · 2020 · ChemRxiv
  23. Autonomous Titration for Chemistry Classrooms: Preparing Students for Digitized Chemistry Laboratories
    Florian Häse, Teresa Tamayo-Mendoza, Carmen Boixo, Jonathan Romero, Loı̈c M. Roch, Alán Aspuru‐Guzik · 2020 · ChemRxiv
  24. Data-Driven Mapping of Inorganic Chemical Space for the Design of Transition Metal Complexes and Metal-Organic Frameworks
    Jon Paul Janet · 2022 · ACS symposium series
  25. Po sledeh umetne inteligence: kaj nam o psiholoških lastnostih posameznikov povedo njihovi digitalni odtisi?
    Bojan Musil, Nejc Plohl · 2022
  26. Raziskovalna umetna inteligenca in standardi transparentnosti
    Borut Trpin · 2022
  27. Umetna inteligenca in eksistenčno tveganje
    Alen Lipuš · 2022
  28. Avtonomna orožja in erozija moralne odgovornosti: sistematizacija nasilja in izginjanje pravičnosti
    Tomaž Grušovnik · 2022
  29. Ali nas umetna inteligenca lahko premaga: od algoritma do singularnosti po poteh etičnega vrednotenja
    Bojan Borstner, Niko Šetar · 2022
  30. Od Descartesa do Alexe: filozofski pogled na razvoj umetne inteligence
    Janez Bregant · 2022
  31. Transformacija 'inteligence roja' {Swarm Intelligence} na umetno inteligenco
    Urška Martinc, Boris Aberšek, Bojan Borstner · 2022
  32. Transparentnost in razložljivost kot zahtevi za zaupanja vredno umetno inteligenco
    Olga Markič · 2022
  33. Towards self-driving labs for experimental mechanics: a data-centric approach for fatigue crack analysis in aerospace materials
    Tobias Strohmann, David Melching, Florian Paysan, Eric Dietrich, Guillermo Carlos Requena, Eric Breitbarth · 2023 · Research Square
  34. Investigating quantum many-body systems with tensor networks, machine learning and quantum computers
    Korbinian Kottmann · 2022
  35. Enhancing An Image Blood Staining Malaria Diagnosis Using Convolution Neural Network On Raspberry Pi
    GEORGE Oluwatobiloba Hannah · 2023 · Multimedia Research
  36. Application of Artificial Intelligence on Water Testing Laboratory Production Processes
    Ndala Yves Mulongo, Jwalane Elizabeth Bosae · 2023 · International Conference on Intelligent Systems and Knowledge Engineering (ISKE)
  37. The Changing Landscape of Materials Discovery
    Fabian O. von Rohr · 2024 · CHIMIA International Journal for Chemistry
  38. Prediction of metabolic dynamics through deep learning and high-throughput multiomics data
    Jose Manuel Martí, Patrick C. Kinnunen, Mark Held, Azadeh Alikhani, Andrew B. Conley, Yan Chen, Tijana Radivojević, Jennifer W. Gin, Apostolos Zournas, Rebecca M. Lennen et al. · 2025 · bioRxiv (Cold Spring Harbor Laboratory)
  39. Projective Simulation
    Hans J. Briegel, Thomas Müller · 2025 · Synthese Library/Synthese library
  40. QBism: Integrating Agency and Quantum Mechanics
    Hans J. Briegel, Thomas Müller · 2025 · Synthese Library/Synthese library
  41. A Variance-Weighted Curvature Criterion for Sequential Experimental Design
    Boeun Kim, Kyung Hwan Ryu · 2025 · Korean Journal of Chemical Engineering
  42. Optimization of Annealing Time for PS/PMMA Electrosprayed Surfaces Using Bayesian Optimization
    Wongil Lee, Minki Lee · 2025 · Journal of the Korean Society of Manufacturing Process Engineers
  43. Integration of Machine Learning and Automated Synthesis for Accelerated Drug and Material Research
    Wenguang Xiao, Houlin Su, Yawei Ma, Youfu Ma, Wencong Lu, Lisheng Wang, Ge Li, Mingqing Yuan, Lihe Jiang, Lixin Liang et al. · 2025 · ChemistrySelect
  44. MIK-I: a portable low-cost platform for automated C–C bond synthesis
    Miguel Alberto Flores-Ortiz, Eliseo R. López-López, Ricardo A. Gutiérrez-Márquez, Martha M. Flores‐Leonar, Andrés Aguilar‐Granda · 2025 · Reaction Chemistry & Engineering
  45. EMERGING TRENDS AND THE FUTURE OF NANOMATERIALS IN ELECTRONICS
    Usama Afzal · 2026
  46. Key global trends in the digital inverse engineering market
    Anton A. Krutov, Evgeniy Bychkov, Elena I. Voevodina, Aleksandr Sal'nikov · 2025 · Theoretical economics
  47. Machine learning empowered surface growth of 2D materials: Synthesis, characterization and mechanism
    Wenjin Gao, Chenqiang Hua, Tianchao Niu, Miao Zhou · 2026 · Surface Science Reports
  48. AI-guided optimization of natural antifungal blends reveals metabolomic remodeling in Aspergillus niger
    Carla Pino, Matthew Sujanto, Camila Covarrubias, Héctor Henríquez, Ana Batista‐González, Rodrigo A. Contreras · 2026 · SSRN Electronic Journal
  49. BAOSA: Benchmarking Active Optimization for Self-driving lAboratories
    Po‐Yen Tung, Yangtao Chen, Bo Peng, Hao Zhang, Wenjue Du, Chenduo Ren, Stefan Bauer, Ye Wei · 2026 · SSRN Electronic Journal
  50. Exploring the limitations of kNN noisy feature detection and recovery for self-driving labs
    Qiuyu Shi, Kangming Li, Yao Fehlis, RUNZE ZHANG, Daniel Persaud, Robert W. Black, Jason R. Hattrick-Simpers · 2026 · Machine Learning Science and Technology
  51. Multimodal framework for early developability assessment to accelerate protein and antibody development
    Jiayin Deng, Qiong Huang, Jiayi Lv, Y L Yang, Zhuyifan Ye, Yanyi Chu, Yiyang Wu, Qi Zhao, Wei‐Jie Fang, Defang Ouyang · 2026 · International Journal of Pharmaceutics
  52. A low-cost automated platform for fast and accurate pH control via physics-informed active learning
    Quan Yang, Zhipeng Xiang, Zhiwen Zhu, Tairan Yang, Qiang Sun · 2026 · Physical Chemistry Chemical Physics
  53. BRIDGING ARTIFICIAL INTELLIGENCE AND NANOTECHNOLOGY: SHAPING THE FUTURE OF INTELLIGENT INNOVATION
    Akanksha Dwivedi, Falguni Kasera, G. N. Darwhekar · 2026 · European journal of parenteral & pharmaceutical sciences
  54. Three-dimensional modeling of Lithium-ion battery electrode manufacturing
    Teo Lombardo · 2022
  55. Attr-RAG: Attribution-Guided Retrieval-Augmented Generation for Scientific Experiment Design
    Fazle Rahat, M Shifat Hossain, Arvind Ramanathan, S. K. Jha, Hao Zheng, Rickard Ewetz · 2025 · International Conference on Machine Learning and Applications
  56. Curiosity-driven AI for Science : Automated Discovery of Self-Organized Structures
    Mayalen Etcheverry · 2023
  57. AUTONOMOUS POLYMER MATERIALS DISCOVERY: ARTIFICIAL INTELLIGENCE ARCHITECTURES FOR GENERATIVE DESIGN AND CLOSED-LOOP ENGINEERING
    Victor Ugbetan Agbogo, Moipone Linda Lethabane, MAVHUNGU Lucey Mapula, Emmanuel Rotimi Sadiku, INJOR Oryina Mbaadega · 2026 · European Journal of Materials Science and Engineering
  58. Using AI to Build AI: AIDO.Builder Enables Autonomous Machine Learning Model Building for Biomedicine
    Han Guo, You-Wei Liang, Xingyi Cheng, Caleb N. Ellington, Peng-Tao Xie, Le Song, E. Xing · 2026 · bioRxiv
  59. Toward relational biosecurity: understanding AI-enabled biology as a connected system
    Michelle Holko · 2026 · Frontiers in Microbiology
  60. Technological innovations for continuous flow catalysis
    Cristopher Tinajero, Luis David Lisintuña, Marcileia Zanatta, Victor Sans · 2026 · Advances in catalysis
  61. Assessing Digital Transformation Readiness in Science and Education: Towards an Integrated Science-Education-Society Ecosystem
    Shakir Mehdiyev, Tahmasib Kh. Fataliyev · 2026 · Beijing international review of education
  62. Automated carousel-based electrochemical sensing toward microbiological and oncological settings
    Lucas F. de Lima, Lucas Costa Faustino, Nathália.V.B. Mestanza, Guida Hellen Mota do Nascimento, Letícia.Ester.dos Santos, Thaís Moraes-Lacerda, Nycolas dos Santos Galdino, Marcelo Bispo de Jesus, Everson T. S. Gerôncio, William Reis de Araujo et al. · 2026 · Analytica Chimica Acta
  63. Transfer Learning–Enhanced Deep Probabilistic Surrogates for Scalable Multi-Fidelity Bayesian Optimisation in Process Design
    Jaewook Lee, Ethan Errington, Miao Guo · 2026 · Systems and Control Transactions
  64. AI-Assisted Design and Optimization of Sustainable Organic Synthesis Pathways Using Green Catalytic Systems
    Hanumant Singh · 2026 · Journal for Research in Applied Sciences and Biotechnology
  65. AI-assisted Raman spectra technique for biomedical sensing: Combine new generation of discriminative spectral analysis with generative inverse design of SERS substrate
    Yi Xu, Jian Zhu · 2026 · TrAC Trends in Analytical Chemistry
  66. RoboCulture enables modular robotic plate-based cell automation
    Kevin Angers, Kourosh Darvish, Naruki Yoshikawa, Sargol Okhovatian, Dawn Bannerman, Ilya Yakavets, Florian Shkurti, Alán Aspuru‐Guzik, Milica Radisic · 2026 · Cell Reports Physical Science
  67. Intelligent process systems engineering (iPSE) in the era of artificial intelligence and process electrification
    Meng Qi, Xiaonan Wang · 2026 · Green Energy & Environment
  68. Toward autonomous experimentation: Bayesian optimization over problem formulation space for accelerated alloy development
    Joseph Wagner, Danial Khatamsaz, Brent Vela, Raymundo Arróyave, Douglas Allaire · 2026 · Materials & Design
  69. Capacitive Tactile Measurement for Liquid Property Recognition in Automated Laboratories
    Wendong Zheng, Jiahe Yao, Kanghao Li, Pengwen Xiong, Huaping Liu · 2026 · IEEE Transactions on Instrumentation and Measurement
  70. Bayesian optimization of natural antifungal blends reveals metabolomic remodeling in Aspergillus niger
    Carla Pino, Matthew Sujanto, Camila Covarrubias, Héctor Henríquez, Ana Batista‐González, Rodrigo A. Contreras · 2026 · Food Chemistry
  71. AI-enabled Materials Discovery and Optimisation
    2026 · Royal Society of Chemistry eBooks
  72. Practical Implementation Guide
    2026 · Royal Society of Chemistry eBooks
  73. Single-atom catalyst cathodes for wastewater-to-hydrogen conversion in microbial electrolysis cells: Neutral HER kinetics, bio-abiotic interfaces, and sustainability
    Li Li, G Li, Xinrui Han, Xiaoning Ma, Chungui Zhang, Qiang Yang · 2026 · Journal of environmental chemical engineering
  74. Transforming Chemical Manufacturing with AI
    2026 · Royal Society of Chemistry eBooks
  75. Fundamentals of AI-driven Automation in Chemical Research
    2026 · Royal Society of Chemistry eBooks
  76. A physics-chemistry-materials-informed neural digital twin for autonomous design, characterization, and optimization of green-synthesized antibacterial silver nanoparticles
    John Onyango Agumba, Fredrick Oluoch Okumu · 2026 · Applied Physics A
  77. Learning the Next Experiment: A Decision Architecture for Closed-Loop Drug Discovery under Cost, Uncertainty, and Scientific Value
    Daniel Osei, Koenraad Janssens, Akua Asare, Mohammed El-Sayed · 2024 · Pharmacophore
  78. Self-Driving Pharmaceutical Laboratories Need Explicit Rules for Exploration, Confirmation, Failure Recovery, Escalation, and Stopping
    Erik Johansson, Sofia Lundberg, Anders Nilsson · 2025 · Pharmacophore
  79. An overview of AI-driven methodologies for the development of nanoparticle-enhanced fluids
    Alina Adriana Minea, Florin Leon, Christos N. Markides · 2026 · AI Thermal Fluids
  80. Embodied Artificial Intelligence Must Learn Laboratory Constraints before It Can Autonomously Conduct Pharmaceutical Experiments
    Marco De Luca, Giulia Ferraro, Antonio Russo, Elena Rossi · 2025 · Pharmacophore
  81. Who Is Accountable When an Artificial Intelligence Agent Chooses the Next Pharmaceutical Experiment?
    Sven Larsson, Erik Johansson, Anna Nilsson, Lars Andersson · 2026 · Pharmacophore
  82. Agentic Drug Discovery Requires a Scientific Constitution for Autonomous Planning, Tool Selection, Experimentation, and Human Intervention
    Michael O'Donnell, Emma Byrne, Nora O’Connor, Aisling Kelly · 2025 · Pharmacophore
  83. AI-Guided Inverse Design of Hydrocolloid-Based Food Systems: From Molecular Descriptors to Process–Structure–Function Validation
    Wajid Zaman, Asma Ayaz · 2026 · Food Reviews International
  84. Do Self-Driving Laboratories Accelerate Discovery or Automate Uncertainty, Bias, and Irreproducible Decisions?
    Hao Chen, Fang Liu, Zhao Lin, Wei Zhang · 2026 · Pharmacophore
  85. A review of autonomous experimentation in lignocellulosic bioethanol production: Self-driving laboratory strategies for process optimization
    Karan Kapoor, Sudarshan Sahu, Saumya Bharti, Anupreet Kaur, Shailendra Kumar Arya · 2026 · Chemical Engineering Journal Green and Sustainable
  86. A software framework for translating literature-derived χDL procedures into execution-format programs on the Chemspeed automation platform
    Yuuya Nagata, Kojiro Machi, Seiji Akiyama, Masaharu Yoshioka · 2026 · Digital Discovery
  87. Self-driving laboratories for sustainable materials discovery: Autonomous experimentation and AI-driven optimization
    Ramaraj Rajesh Kumar, Dr.P. Eben Sophia, Israel V.M.V. Enoch · 2026 · Next Materials
  88. Artificial intelligence in nanotechnology: current applications and future perspectives
    Ali Majedi · 2026 · Health Nanotechnology
  89. The Pharmaceutical Translation Observatory for Measuring How Laboratory Claims Become Reproducible, Manufacturable, and Patient-Relevant Evidence across Development Stages
    Thabo Nkosi, Lerato Molefe, Sipho Dlamini, Ayanda Mokoena, Kabelo Ndlovu · 2026 · International Journal Of Pharmaceutical Research And Allied Sciences
  90. Why Promising Pharmaceutical Technologies Stall between Laboratory Validation and Clinical Translation: A Failure-Mechanism Framework for Pharmaceutical Innovation
    Yifan Zhao, Liang Chen, Ahmad Fauzi, Nor Hayati · 2025 · International Journal Of Pharmaceutical Research And Allied Sciences
  91. Machine Learning–Enhanced Localized Surface Plasmon Resonance Sensing: From Spectra to Intelligent Devices
    Qingfubo Geng, Ruihua Zhang, Hangyu Li, Humeng Zuo, Zhaoxin Geng · 2026 · Laser & Photonics Review
  92. From Platform Readiness to Patient Readiness through a Decision Architecture for Next-Generation Pharmaceutical Translation under Scientific Uncertainty
    James Walker, Olivia Harris, George Wilson · 2026 · International Journal Of Pharmaceutical Research And Allied Sciences
  93. Artificial Intelligence-Driven Reproductive Bioengineering: Integrating Fertility Diagnostics, Organ-on-Chip Systems, Cryobiology and Epigenetic Safety for Precision Reproductive Medicine
    Mohamad Warda, Ali Doğan Ömür, Hae-Jin Park, Jae-Woong Bae, A.M. Abd El‐Aty · 2026 · Bioengineering
  94. Automated Biomedical Research Laboratories: Development, Current State, and a Roadmap for Adaptation into Shared Research Resources
    Jay W. Fox, Jeffery R. Martens · 2026 · Journal of Biomolecular Techniques JBT
  95. From chemical space to synthetic reality: A framework for makeable-by-design generative AI in drug discovery
    Sebastián O. Simonetti, Aldana B. Moroni, María Marta Zanardi, Frank Kozielski, Geoffrey Wells, Exequiel O. J. Porta · 2026 · Drug Discovery Today
  96. A Conceptual Theory of Model-Science Interface: Where AI Outputs Become Experimental Inputs
    Wei Chen, Li Zhang · 2022 · Journal of Artificial Intelligence for Materials Science
  97. The Treatment of Absence and Null Results in Materials Machine Learning Literature: A Review Study
    Nguyen Thanh Huy, Pham Quang Minh, Le Thi Bich · 2022 · Journal of Artificial Intelligence for Materials Science
  98. Artificial Intelligence in Scalable Materials Synthesis and Manufacturing
    Nagababu Andraju · 2026 · AI Chemistry
  99. The Ethics of Materials Acceleration: A Conceptual Analysis of Sustainability, Labor, and Dual-Use Tensions
    Claire Dupont, Julien Martin, Sophie Bernard · 2024 · Journal of Artificial Intelligence for Materials Science
  100. Artificial Intelligence as a Co-Scientist in Materials Science: From Pattern Recognition to Self-Driving Laboratories
    Jose Martinez, Carmen Lopez · 2026 · Journal of Artificial Intelligence for Materials Science