ChemAlive SA serves an online computational chemistry platform that delivers highly accurate analytics for all of chemistry through its managed cloud computing, its in-house automation algorithms and its large-scale database. Through one-button, barrier-free, access to state-of-the-art methods in chemical theory, the platform allows for fast and efficient results with up-to-date methodologies useful to experts and non-experts alike in academia, pharmaceuticals, fine chemicals and contract research (manufacturing) organizations (CR(M)Os). The ultimate goal of ChemAlive SA is to allow the full and automatic calculation of reliable quantum data for molecular properties and synthetic reactions available to all chemists from basic 2D chemical syntax towards the total in silico prediction of chemical processes.
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ChemAlive SA empowers all actors in all chemical sectors through automated quantum chemistry supported by big data and the cloud. Examples of the functionalities we provide specific to the needs of different chemical sectors can be found by navigating on the left. In general, if you understand the power of quantum chemistry and would like to use it more in your industry, ChemAlive can make this happen without the need for additional software or expertise.
ChemAlive SA’s goal is to allow the full and automatic calculation of accurate and reliable data for molecular properties and synthetic reactions available to all chemists from basic 2D chemical syntax. Our technologies beckon a future where, through computation, we know everything about a molecule and how to make it before the first test tube is in hand. A future where R&D is more directed, chemical processes are more efficient, more environmentally sound and the chemical industry is able to tackle more technological and medicinal challenges faster, for less, and with a larger beneficial impact and scope on society.
Quantum Chemistry as a Daily Tool
ChemAlive was built on a recognized need for low-barrier access to the ever-increasing accuracy that quantum chemistry provides. Our company delivers fully web-based automated functionality to the whole of chemistry. Our interface will empower students of chemistry, by making their learning more quantitative and visual. It will enable expert academics to manage the increasing complexity in their domain by facilitating largescale computational projects through workflow and pipeline automation. The interface will streamline computation in industry and make it more accurate, more efficient and more accessible to all actors in this area leading to more efficient and intelligent decision making. Our algorithms will contribute to these sectors by rendering quantum chemistry as one simple tool.
ChemAlive SA, Vision
The age of classical chemistry is gone, where arguments about chemical properties are sketched out on paper and the outcome of reactions are explained by varying levels of guesswork and intuition. ChemAlive aims to displace classical chemical thinking by providing supremely accurate and self-consistent metrics to the entire cross-section of the chemistry community through the power of computing. We intend to replace paper, pencil, pen, chalk and whiteboard with interactive and quantitative results that will allow chemists to understand more deeply, communicate more effectively and analyze more quickly.
ChemAlive SA, founded by Drs. Peter Jarowski and Laetitia Bomble
Dr. Jarowski (CEO) trained under Prof. K. N. Houk at the University of California, Los Angeles, a world leading expert in organic theory and the application of computational methods in mechanism and thermochemistry. At UCLA Dr. Jarowski studied the thermochemistry of polyenes and polyynes using highly accurate methods. He was also involved in the fundamental study of resonance effects and conjugation. Later, he continued his career in experimental organic synthesis supported by theory working in the research group of Prof. Dr. Francois Diederich at the ETH-Zurich where he carried out his postdoctoral work elucidating reaction mechanisms and molecular properties. During his time as an independent principal investigator, Dr. Jarowski pushed a research agenda in experimental and computational molecular design. ChemAlive integrates Dr. Jarowski's deep knowledge of theory with his understanding of the needs of experimental chemists to achieve reliable predictions without the hassle of the technical aspects of computational chemistry.
Dr. Bomble (CTO) trained under Prof. M. Desouter-Lecomte at the Université de Paris-Sud 11, France. There she learned scientific programming for chemical analysis. She developed several codes to treat the quantum dynamics of molecules. Later on, Dr Bomble worked at the EPFL, Switzerland where she continued developing her programming skills with a focus on algorithms. There she wrote code to accurately study the electronic structure of large-scale and strongly correlated systems. ChemAlive integrates her knowledge of programming and her ability to manipulate chemical software to bring new challenge-specific functionality to the chemistry community.
Dr. Thomas Eaton (COO) studied chemistry at Oxford University and obtained his Ph. D. from the University of Basel in organic chemistry and surface science working with Prof. Dr. Wolfgang Meier. Following this he entered the business world working for Deloitte and UBS as a consultant in business development and analysis. Dr. Eaton applies his knowledge of market analysis to strategize client acquisition and market entry. He is expert in the process of IP generation and go-to-market strategies and in bridging the gap between the science and the business case.
We are a limited liability company (SA, in French) registered in Vaud, Switzerland. ChemAlive SA was formed in late 2014 by Drs. Peter D. Jarowski and Laetitia Bomble and has since been supported and nurtured by the Swiss startup ecology through the EPFL Innovation Park, the CTI mentorship program and the Microsoft BizSpark Plus program.
Strategic Partners in Switzerland
Applied R&D in machine learning (ML) and database technologies in quantum chemistry is being carried-out through the CTI Project Grant mechanism (to be submitted, April 2017) in partnership with NCCR MARVEL
working with Prof. von Lilienfeld (UNIBAS
) and Prof. Marzari (EPFL, THEOS Lab
), to add unique value to our business.
The deliverable technology will address remaining expertise-gap and speed issues that have severely hindered the deployment of quantum chemistry outside of the small culture of expert practitioners. In particular, we will be porting over our current database technology to the powerful AiiDA
automation and database architecture developed by the Marzari led THEOS laboratory to handle much of our automation and data technology. With UNIBAS we will be carrying fresh academic research in ML to the application and commercialization stage. This will entail using the AiiDA technology to build the worlds largest database of pre-computed quantum chemical data.
The partnership will lead to significant technological advancement to make quantum chemistry more interactive and deployable in a variety of new industrial areas, but specifically, in the area of reaction forecasting (towards now-casting).