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Catalyst Screening


Catalyst Screening Technology

Catalysts are essential components in many industrial processes, from chemical production to energy generation, helping to speed up chemical reactions and improve yields. However, finding the most effective catalyst for a particular process can be a time-consuming and costly process. That's where catalyst screening technology come in.

Fortunately, with the continuous development of artificial intelligence technology in the field of chemistry, various machine learning (ML) models can be used to realize the catalyst screening process efficiently, quickly and at low cost. Many studies have reported the application prospects and even commercialization of various machine learning models in catalyst screening, such as neural network (NN) models, deep learning models, microkinetic models, etc. For example, since binding sites and energies are accessible and correlate with activity and selectivity in high-throughput screening of catalysts, machine learning models based on binding energy predictions can be used to accelerate catalyst screening.

The overall workflow of the binding energy prediction model.The overall workflow of the binding energy prediction model. [1]

Our Catalyst Screening Services

At Alfa Chemistry, we offer catalyst screening technical services to help our clients identify the most effective catalysts for their specific needs. Our state-of-the-art facilities and experienced team of chemists enable us to conduct high-throughput screening of thousands of catalysts simultaneously, quickly identifying the most promising candidates for further study.

  • Our automated reaction platform can screen multiple catalytic conditions in parallel, and the automated platform ensures that data information is more accurate and reliable.
  • We use a variety of screening techniques, such as high-throughput synthesis, automated reaction optimization, and analytical methods to rapidly evaluate large libraries of potential catalysts. For example, automatic analysis of online detection LCMS results is used to screen out better catalyst combinations as soon as possible.
  • The wide range of synthesis covers common reaction types including but not limited to cross-coupling reactions, hydrocracking reactions, alkylation reactions, redox reactions.
  • We have a large-scale catalyst product library to support diversified catalyst screening needs.
  • Utilizing powerful machine learning modeling capabilities, our team of chemists is able to provide precise solutions for a wide range of catalytic systems, such as binding energy prediction models, chemical reaction calculations, catalytic simulations, and reaction mechanism calculations.

Our Catalyst Screening Services.

Choose Alfa Chemistry

At Alfa Chemistry, we offer comprehensive catalyst screening technical services to help our clients identify and develop the most effective catalysts for their specific needs. We are proud to ensure our clients get the best project experience from five aspects, including expertise and experience, cutting-edge technology, customized solutions, quality assurance and confidentiality. By choosing Alfa Chemistry, you can expect efficient and effective solutions that are tailored to your needs. We are committed to delivering high-quality results that meet or exceed your expectations.


  • Geun Ho Gu, et al. J. Phys. Chem. Lett. 2020, 11, 9, 3185-191.
  • Jie Li, et al. Chemical Engineering Journal, 2021, 426, 131285.

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