@article{orouji_bennett_sadeghi_abolhasani_2024, title={Digital Pareto-front mapping of homogeneous catalytic reactions}, volume={3}, ISSN={["2058-9883"]}, url={https://doi.org/10.1039/D3RE00673E}, DOI={10.1039/d3re00673e}, abstractNote={We present a digital framework for rapid multi-objective reaction space exploration and optimization of homogeneous catalytic reactions through autonomous experimentation and Bayesian optimization.}, journal={REACTION CHEMISTRY & ENGINEERING}, author={Orouji, Negin and Bennett, Jeffrey A. and Sadeghi, Sina and Abolhasani, Milad}, year={2024}, month={Mar} }
 @article{bateni_sadeghi_orouji_bennett_punati_stark_wang_rosko_chen_castellano_et al._2024, title={Smart Dope: A Self-Driving Fluidic Lab for Accelerated Development of Doped Perovskite Quantum Dots (Adv. Energy Mater. 1/2024)}, volume={14}, ISSN={["1614-6840"]}, DOI={10.1002/aenm.202470001}, abstractNote={Self Driving Lab In article number 2302303,Milad Abolhasani and co-workers present a self-driving lab, called Smart Dope, for the fast-tracked discovery of doped quantum dots (QDs) for applications in clean energy technologies. Smart Dope utilizes machine learning-guided operation of flow reactors integrated with an in-situ characterizationmodule in a ‘closed-loop’ fashion to discover the best-in-class QD within one day of autonomous experiments.}, number={1}, journal={ADVANCED ENERGY MATERIALS}, author={Bateni, Fazel and Sadeghi, Sina and Orouji, Negin and Bennett, Jeffrey A. and Punati, Venkat S. and Stark, Christine and Wang, Junyu and Rosko, Michael C. and Chen, Ou and Castellano, Felix N. and et al.}, year={2024}, month={Jan} }
 @article{sadeghi_bateni_kim_son_bennett_orouji_punati_stark_cerra_awad_et al._2023, title={Autonomous nanomanufacturing of lead-free metal halide perovskite nanocrystals using a self-driving fluidic lab}, volume={12}, ISSN={["2040-3372"]}, DOI={10.1039/d3nr05034c}, abstractNote={We present a self-driving fluidic lab for accelerated synthesis science studies of lead-free metal halide perovskite nanocrystals.}, journal={NANOSCALE}, author={Sadeghi, Sina and Bateni, Fazel and Kim, Taekhoon and Son, Dae Yong and Bennett, Jeffrey A. and Orouji, Negin and Punati, Venkat S. and Stark, Christine and Cerra, Teagan D. and Awad, Rami and et al.}, year={2023}, month={Dec} }
 @article{bateni_sadeghi_orouji_bennett_punati_stark_wang_rosko_chen_castellano_et al._2023, title={Smart Dope: A Self-Driving Fluidic Lab for Accelerated Development of Doped Perovskite Quantum Dots}, volume={11}, ISSN={["1614-6840"]}, DOI={10.1002/aenm.202302303}, abstractNote={Abstract}, journal={ADVANCED ENERGY MATERIALS}, author={Bateni, Fazel and Sadeghi, Sina and Orouji, Negin and Bennett, Jeffrey A. and Punati, Venkat S. and Stark, Christine and Wang, Junyu and Rosko, Michael C. and Chen, Ou and Castellano, Felix N. and et al.}, year={2023}, month={Nov} }
 @article{bennett_abolhasani_2023, title={Turbo mode for hydroaminomethylation of olefins with CO<sub>2</sub>}, volume={3}, ISSN={["2667-1093"]}, DOI={10.1016/j.checat.2023.100816}, abstractNote={In this issue of Chem Catalysis, Qian et al.1 report the successful hydroaminomethylation of alkenes using H2 and CO2 using N-heterocyclic carbene (NHC)-Ru coordination assemblies alongside imidazolium carboxylates to activate CO2. The high yield, selectivity, and recyclability provide a broad and robust synthesis for upgraded amines.}, number={11}, journal={CHEM CATALYSIS}, author={Bennett, Jeffrey A. and Abolhasani, Milad}, year={2023}, month={Nov} }
 @article{bateni_epps_antami_dargis_bennett_reyes_abolhasani_2022, title={Autonomous Nanocrystal Doping by Self-Driving Fluidic Micro-Processors}, volume={4}, ISSN={["2640-4567"]}, url={https://doi.org/10.1002/aisy.202200017}, DOI={10.1002/aisy.202200017}, abstractNote={Lead halide perovskite (LHP) nanocrystals (NCs) are considered an emerging class of advanced functional materials with numerous outstanding optoelectronic characteristics. Despite their success in the field, their precision synthesis and fundamental mechanistic studies remain a challenge. The vast colloidal synthesis and processing parameters of LHP NCs in combination with the batch‐to‐batch and lab‐to‐lab variation problems further complicate their progress. In response, a self‐driving fluidic micro‐processor is presented for accelerated navigation through the complex synthesis and processing parameter space of NCs with multistage chemistries. The capability of the developed autonomous experimentation strategy is demonstrated for a time‐, material‐, and labor‐efficient search through the sequential halide exchange and cation doping reactions of LHP NCs. Next, a machine learning model of the modular fluidic micro‐processors is autonomously built for accelerated fundamental studies of the in‐flow metal cation doping of LHP NCs. The surrogate model of the sequential halide exchange and cation doping reactions of LHP NCs is then utilized for five closed‐loop synthesis campaigns with different target NC doping levels. The precise and intelligent NC synthesis and processing strategy, presented herein, can be further applied toward the autonomous discovery and development of novel impurity‐doped NCs with applications in next‐generation energy technologies.}, number={5}, journal={ADVANCED INTELLIGENT SYSTEMS}, publisher={Wiley}, author={Bateni, Fazel and Epps, Robert W. and Antami, Kameel and Dargis, Rokas and Bennett, Jeffery A. and Reyes, Kristofer G. and Abolhasani, Milad}, year={2022}, month={Mar} }
 @article{bennett_abolhasani_2022, title={Autonomous chemical science and engineering enabled by self-driving laboratories}, volume={36}, ISSN={["2211-3398"]}, DOI={10.1016/j.coche.2022.100831}, abstractNote={Recent advances in machine learning (ML) and artificial intelligence have provided an exciting opportunity to computerize the fundamental and applied studies of complex reaction systems via self-driving laboratories. Autonomous robotic experimentation can enable time-, material-, and resource-efficient exploration and/or optimization of high-dimensional space reaction systems. Furthermore, interpretation of the ML models trained on the experimental data can unveil the underlying reaction mechanisms. In this article, we discuss different elements of a self-driving lab, and present recent efforts in autonomous reaction modeling and optimization. Further development and adoption of ML-guided closed-loop experimentation strategies can realize the full potential of autonomous chemical science and engineering to accelerate the discovery and development of advanced materials and molecules.}, journal={CURRENT OPINION IN CHEMICAL ENGINEERING}, author={Bennett, Jeffrey A. and Abolhasani, Milad}, year={2022}, month={Jun} }
 @article{ibrahim_bennett_abolhasani_2022, title={Continuous Room-Temperature Hydrogen Release from Liquid Organic Carriers in a Photocatalytic Packed-Bed Flow Reactor}, volume={5}, ISSN={["1864-564X"]}, url={https://doi.org/10.1002/cssc.202200733}, DOI={10.1002/cssc.202200733}, abstractNote={Abstract}, journal={CHEMSUSCHEM}, publisher={Wiley}, author={Ibrahim, Malek Y. S. and Bennett, Jeffrey A. and Abolhasani, Milad}, year={2022}, month={May} }
 @article{ibrahim_bennett_mason_rodgers_abolhasani_2022, title={Flexible homogeneous hydroformylation: on-demand tuning of aldehyde branching with a cyclic fluorophosphite ligand}, volume={409}, ISSN={["1090-2694"]}, DOI={10.1016/j.jcat.2022.03.030}, abstractNote={Tuning aldehyde regioselectivity via homogeneous hydroformylation of olefins using the same catalyst system remains a challenge. Here, we present flexible rhodium (Rh)-catalyzed hydroformylation of 1-octene and propylene with a bulky cyclic monofluorophosphite ligand L. Hydroformylation of 1-octene with Rh/L catalyst achieves, for the first time, turnover frequencies exceeding 75,000 mol ald.mol Rh−1.h−1 (at 30% conversion) in segmented flow, while enabling access to an unmatched tunable aldehyde branching (0.06 < linear/branched < 15) with the same ligand L. Our mechanistic studies demonstrate that L provides a viable alternative to traditional bidentate phosphine/phosphite ligands for high activity with the added benefit of tunable selectivity. The unique high flexibility feature of L over traditional linear- or branched-selective ligands allows for on-demand tuning from 90% linear to 75% branched aldehyde in a continuous flow reactor without the need for ligand/catalyst alteration. Furthermore, when starting from the internal olefins, Rh/L catalyst achieves high regioselectivity (>90%) toward the two positional aldehyde isomers. The high turnover frequencies obtained with L in flow will enhance the economics of the production of aldehydes and their isotopically labeled analogues by significantly reducing the reaction time, thereby enabling better utilization of the increasingly expensive Rh catalyst and minimizing the need for catalyst/ligand separation and recycle.}, journal={JOURNAL OF CATALYSIS}, author={Ibrahim, Malek Y. S. and Bennett, Jeffrey A. and Mason, Dawn and Rodgers, Jody and Abolhasani, Milad}, year={2022}, month={May}, pages={105–117} }
 @misc{volk_campbell_ibrahim_bennett_abolhasani_2022, title={Flow Chemistry: A Sustainable Voyage Through the Chemical Universe en Route to Smart Manufacturing}, volume={13}, ISSN={["1947-5446"]}, DOI={10.1146/annurev-chembioeng-092120-024449}, abstractNote={Microfluidic devices and systems have entered many areas of chemical engineering, and the rate of their adoption is only increasing. As we approach and adapt to the critical global challenges we face in the near future, it is important to consider the capabilities of flow chemistry and its applications in next-generation technologies for sustainability, energy production, and tailor-made specialty chemicals. We present the introduction of microfluidics into the fundamental unit operations of chemical engineering. We discuss the traits and advantages of microfluidic approaches to different reactive systems, both well-established and emerging, with a focus on the integration of modular microfluidic devices into high-efficiency experimental platforms for accelerated process optimization and intensified continuous manufacturing. Finally, we discuss the current state and new horizons in self-driven experimentation in flow chemistry for both intelligent exploration through the chemical universe and distributed manufacturing.}, journal={ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING}, author={Volk, Amanda A. and Campbell, Zachary S. and Ibrahim, Malek Y. S. and Bennett, Jeffrey A. and Abolhasani, Milad}, year={2022}, pages={45–72} }
 @article{davis_bennett_genzer_efimenko_abolhasani_2022, title={Intensified Hydrogenation in Flow Using a Poly(beta-cyclodextrin) Network-Supported Catalyst}, volume={11}, ISSN={["2168-0485"]}, url={https://doi.org/10.1021/acssuschemeng.2c05467}, DOI={10.1021/acssuschemeng.2c05467}, abstractNote={The intersection of heterogeneous catalysis and flow chemistry is of great importance for the emerging distributed manufacturing of specialty chemicals. Specifically, continuous production of aryl amines is an essential step for on-demand and on-site manufacturing of fine chemicals. This work presents a heterogeneous flow chemistry route for accelerated chemoselective hydrogenation of nitroarenes using a poly(β-cyclodextrin) network-supported palladium catalyst. The developed packed-bed flow reactor enables the selective hydrogenation of a rationally selected library of nitroarenes with >99% yield at room temperature and short residence times (1 min). Utilizing sodium borohydride as the hydrogen carrier in a pressurized packed-bed flow reactor allows safe and efficient delivery of hydrogen to nitroarene molecules. We demonstrate the robustness and versatility of the flow reactor packed with the network-supported catalyst through its consistently high reaction yield over a 3 day run and its reusability and stability in several solvent mixtures with a single-reactor aryl amine manufacturing throughput of up to 31.5 g/day. Furthermore, the catalytic packed-bed reactor is used in a case study for a two-step telescopic synthesis of a critical intermediate for the antibacterial drug linezolid, further supporting its utility as an industrially relevant catalyst for the broad application of catalytic hydrogenations in flow.}, journal={ACS SUSTAINABLE CHEMISTRY & ENGINEERING}, author={Davis, Bradley A. and Bennett, Jeffrey A. and Genzer, Jan and Efimenko, Kirill and Abolhasani, Milad}, year={2022}, month={Nov} }
 @article{bennett_davis_ramezani_genzer_efimenko_abolhasani_2021, title={Continuous Ligand-Free Suzuki-Miyaura Cross-Coupling Reactions in a Cartridge Flow Reactor Using a Gel-Supported Catalyst}, volume={60}, ISSN={["0888-5885"]}, url={https://doi.org/10.1021/acs.iecr.1c01531}, DOI={10.1021/acs.iecr.1c01531}, abstractNote={The Suzuki–Miyaura cross-coupling reaction is one of the most important reactions for pharmaceutical and fine chemical synthesis, performed using both homogeneous and heterogeneous catalysis. In this work, we cross-link poly(methylhydrosiloxane) (PMHS) with tri(ethylene glycol divinyl ether) to create a versatile and readily accessible gel catalyst support for Suzuki–Miyaura cross-coupling reactions in a pseudoheterogeneous manner. The Si–H units present on the PMHS backbone act dually as the cross-linking site and the reducing agent to anchor and reduce palladium(II) acetate to active palladium(0). The PMHS-supported Pd catalyst is then packed into a stainless-steel flow reactor to create a cartridgelike reactor for the continuous operation of a model Suzuki–Miyaura cross-coupling reaction. We systematically investigate the role of reaction temperature, catalyst loading, cross-linking density, and gel particle size on the transient and steady-state behavior of the cartridge flow reactor through an automated flow chemistry platform. The PMHS-supported catalytic particles demonstrate minimal deactivation and leaching over a continuous (80 h) Suzuki–Miyaura cross-coupling reaction at a 30 min nominal residence time at a relatively high reaction temperature of 95 °C. The developed modular flow chemistry strategy equipped with the cartridge flow reactor enables accelerated studies of the fundamental and applied characteristics of gel-supported catalysts while providing increased safety, higher throughput, and removal of the separation step needed for catalyst recovery compared to homogeneous cross-coupling reactions in batch reactors.}, number={26}, journal={INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH}, publisher={American Chemical Society (ACS)}, author={Bennett, Jeffrey A. and Davis, Bradley A. and Ramezani, Mahdi and Genzer, Jan and Efimenko, Kirill and Abolhasani, Milad}, year={2021}, month={Jul}, pages={9418–9428} }
 @article{bennett_campbell_abolhasani_2019, title={Continuous synthesis of elastomeric macroporous microbeads}, volume={4}, ISSN={["2058-9883"]}, url={https://doi.org/10.1039/C8RE00189H}, DOI={10.1039/c8re00189h}, abstractNote={Macroporous microbeads are synthesized by microfluidic production of silica-loaded polymeric microdroplets followed by porogen removal via selective etching.}, number={2}, journal={REACTION CHEMISTRY & ENGINEERING}, publisher={Royal Society of Chemistry (RSC)}, author={Bennett, Jeffrey A. and Campbell, Zachary S. and Abolhasani, Milad}, year={2019}, month={Feb}, pages={254–260} }
 @article{campbell_parker_bennett_yusuf_al-rashdi_lustik_li_abolhasani_2018, title={Continuous Synthesis of Monodisperse Yolk-Shell Titania Microspheres}, volume={30}, ISSN={["1520-5002"]}, url={https://doi.org/10.1021/acs.chemmater.8b04349}, DOI={10.1021/acs.chemmater.8b04349}, abstractNote={A microfluidic strategy is developed for continuous synthesis of monodisperse yolk–shell titania microspheres. The continuous flow synthesis of titania microparticles is achieved by decoupling the microdroplet formation and interfacial hydrolysis reaction steps by utilizing a polar aprotic solvent as the continuous phase in the microreactor. The decoupling of the precursor microdroplet formation and the hydrolysis reaction allows titania synthesis throughputs an order of magnitude higher than those previously reported in a single-channel flow reactor (∼0.1 g/h calcined microparticles), without affecting the microreactor lifetime due to clogging. Flow synthesis and dynamics across a broad range of precursor flow rates are examined, while effects of flow synthesis parameters, including the precursor to continuous phase flow rate ratio, precursor composition, and calcination temperature on the surface morphology, size, and composition of the resulting titania microparticles, are explored in detail. Titania m...}, number={24}, journal={CHEMISTRY OF MATERIALS}, publisher={American Chemical Society (ACS)}, author={Campbell, Zachary S. and Parker, Matthew and Bennett, Jeffrey A. and Yusuf, Seif and Al-Rashdi, Amur K. and Lustik, Jacob and Li, Fanxing and Abolhasani, Milad}, year={2018}, month={Dec}, pages={8948–8958} }