PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
PQI has negotiated free unlimited access to talks and the video archive from the Telluride Summer Lecture Series, featuring live-streamed lectures and Q&A sessions with leading scientists. Register here for a Zoom link ID and password.
Computational catalysis, a field that simulates and accelerates the discovery of catalysts for chemical production, has largely been limited to simulations of idealized catalyst structures that do not necessarily represent structures under realistic reaction conditions.
New research from the University of Pittsburgh’s Swanson School of Engineering, in collaboration with the Laboratory of Catalysis and Catalytic Processes (Department of Energy) at Politecnico di Milano in Milan, Italy, advances the field of computational catalysis by paving the way for the simulation of realistic catalysts under reaction conditions. The work, Modeling Morphology and Catalytic Activity of Nanoparticle Ensembles Under Reaction Conditions, was published in ACS Catalysis and authored by Raffaele Cheula, PhD student in the Maestri group; Matteo Maestri, full professor of chemical engineering at Politecnico di Milano; and Giannis “Yanni” Mpourmpakis, Bicentennial Alumni Faculty Fellow and associate professor of chemical engineering at Pitt.
Yang Wang, Pittsburgh Supercomputing Center, “Ab initio electronic structure calculation at the dawn of exascale computing”
Shiwei Zhang, Flatiron Institute and College of William & Mary, “Towards the solution of the many-electron problem: ground-state properties of the hydrogen chain from ab initio computation"”
The format is a plenary talk from our outside speaker (40 min, including questions) following a talk (20 min, including questions) from our PQI membership. This is a format that is modeled after the previous PQI20XX events.
...
Olexandr Isayev, CMU, “Supercharging quantum mechanics with artificial intelligence (AI)”
Heather Kulik, MIT, “Molecular design blueprints: new simulation and machine learning tools for inorganic discovery”
Peng Liu, Pitt, “Using Energy Decomposition Analysis to Guide Rational Catalyst Design”
The format is a plenary talk from our outside speaker (40 min, including questions), sandwiched between two shorter talks (20 min each, including questions) from our PQI membership. This is a format that is modeled after the previous PQI20XX events.
...