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The computational model encapsulates the hard-to-detect transition states in chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 14, 202433Views0Likes0Comments
During a chemical reaction, molecules gain energy until they reach a transition state. This is a point from which the reaction must proceed. However, this state is brief and almost impossible to observe experimentally. Traditionally, the structures of these transition states have been calculated with methods rooted in quantum chemistry. This process is extremely time-consuming. The…

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The computational model accurately represents the hard-to-detect transitional phases of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 14, 202435Views0Likes0Comments
An MIT research team has developed an approach that quickly calculates the structure of transition states fundamental in chemical reactions - the fleeting and typically unobservable point that determines whether a reaction proceeds. This new machine learning-based model could assist in developing new reactions and catalysts for creating materials like fuels or drugs, and might…

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The computational model grasps the hard-to-capture transition phases of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 13, 202429Views0Likes0Comments
During a chemical reaction, molecules gain energy until they reach what is known as the transition state — a point at which the reaction must proceed. This state is extremely short-lived and nearly impossible to observe experimentally. Its structures can be calculated using quantum chemistry techniques, but these methods are very time-consuming. Recently, a team of…

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The computational model successfully records the difficult-to-detect transition phases of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 13, 202432Views0Likes0Comments
Chemical reactions reach a 'transition state' when molecules gain enough energy for the reaction to proceed. This state is brief and hard to observe experimentally. The arrangement of these transition states can be calculated through quantum chemistry, but it is highly time-consuming. Scientists at MIT have developed a faster method using machine learning which computes…

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Computational model successfully identifies the hard-to-catch transitional stages of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 12, 202433Views0Likes0Comments
A team of researchers from the Massachusetts Institute of Technology (MIT) has developed a machine learning model that can quickly calculate the structures of transition states in chemical reactions. These fleeting moments occur when molecules have gained enough energy to proceed with a reaction, but are notoriously difficult to study due to their ephemeral nature.…

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The computational model successfully encapsulates the hard-to-catch transition stages of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 12, 202438Views0Likes0Comments
During a chemical reaction, molecules move towards a transition state, a high-energy state that dictates how the reaction will proceed. However, this transition state is difficult to predict and observe due to its fleeting nature. Traditionally, scientists use quantum chemistry methods like density functional theory to evaluate these transition states, though these calculations tend to…

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Computational model successfully identifies the elusive transitional phases of chemical processes.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 12, 202435Views0Likes0Comments
MIT researchers have developed an approach based on machine learning that can calculate transition states of chemical reactions within seconds. The structures of these transition states, a temporary condition in the middle of a chemical reaction, can typically only be calculated using techniques based on quantum chemistry – a process that can be extremely time-consuming.…

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MIT’s computing is at a crucial juncture.

academics, Administration, Aeronautical and astronautical engineering, Artificial Intelligence, Boston and region, Brain and cognitive sciences, Cambridge, Campus buildings and architecture, Chemical engineering, Community, Comparative Media Studies/Writing, Computer Science and Artificial Intelligence Laboratory (CSAIL), Computer science and technology, EAPS, Education, Electrical Engineering & Computer Science (eecs), Facilities, Laboratory for Information and Decision Systems (LIDS), Machine learning, MIT Schwarzman College of Computing, MIT Sloan School of Management, MIT-IBM Watson AI Lab, Music and theater arts, Nuclear science and engineering, Political science, Quest for Intelligence, School of Architecture and Planning, School of Engineering, School of Humanities Arts and Social Sciences, School of Science, teaching, Technology and society, Uncategorized, Urban studies and planningApril 12, 202441Views0Likes0Comments
MIT’s Stephen A. Schwarzman College of Computing has opened its new headquarters in Building 45, creating a hub for computing on campus. The building is considered a physical manifestation of the college's mission to fortify core computer science and AI, integrate computing throughout MIT, and advance the social, ethical and policy considerations of the discipline. MIT…

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A turning point for computer studies at MIT.

academics, Administration, Aeronautical and astronautical engineering, Artificial Intelligence, Boston and region, Brain and cognitive sciences, Cambridge, Campus buildings and architecture, Chemical engineering, Community, Comparative Media Studies/Writing, Computer Science and Artificial Intelligence Laboratory (CSAIL), Computer science and technology, EAPS, Education, Electrical Engineering & Computer Science (eecs), Facilities, Laboratory for Information and Decision Systems (LIDS), Machine learning, MIT Schwarzman College of Computing, MIT Sloan School of Management, MIT-IBM Watson AI Lab, Music and theater arts, Nuclear science and engineering, Political science, Quest for Intelligence, School of Architecture and Planning, School of Engineering, School of Humanities Arts and Social Sciences, School of Science, teaching, Technology and society, Uncategorized, Urban studies and planningApril 12, 202438Views0Likes0Comments
The MIT Stephen A. Schwarzman College of Computing has recently inaugurated its new headquarters in Building 45, fostering a new hub of connectivity at MIT. The structure serves as a computing crossroads for the campus and aims to catalyze collaborations in computing, and houses research groups from multiple departments and labs. Approximately 178,000 square feet in…

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A computational model successfully depicts the hard-to-capture transitional stages of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 11, 202438Views0Likes0Comments
A group of MIT researchers has developed a new machine learning model which rapidly calculates the structure of transition states during chemical reactions. This fleeting moment is a crucial "point of no return" in reactions. Although this transition state is vital to understanding the pathway of the reaction, it has been notoriously difficult to observe…

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The computational model successfully records the hard-to-capture transition stages of chemical reactions.

Artificial Intelligence, Chemical engineering, Chemistry, Machine learning, National Science Foundation (NSF), Research, School of Engineering, School of Science, UncategorizedApril 11, 202435Views0Likes0Comments
A team of researchers at the Massachusetts Institute of Technology (MIT) has developed a machine learning-based method to swiftly calculate the structures of transition states, crucial moments in chemical reactions. This state, at which molecules attain the necessary energy for a reaction, is important but fleetingly transient and difficult to experimentally observe. Calculating these structures…

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Five professors from MIT tackle Major Cancer Challenges

Artificial Intelligence, Awards, Biological engineering, Biology, Cancer, Chemical engineering, Electrical Engineering & Computer Science (eecs), Faculty, Funding, Grants, honors and fellowships, Immunology, Jameel Clinic, Koch Institute, Machine learning, Research, School of Engineering, School of Science, UncategorizedMarch 19, 202438Views0Likes0Comments
Five MIT researchers—Michael Birnbaum, Regina Barzilay, Brandon DeKosky, Seychelle Vos, and Ömer Yilmaz—are part of winning teams for Cancer Grand Challenges 2024. Each team, made up of international, interdisciplinary cancer researchers, will receive $25 million over five years. Associate Professor of Biological Engineering Michael Birnbaum is heading Team MATCHMAKERS, comprised of co-investigators Regina Barzilay (Engineering Distinguished…

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