MAY 23, 2025 Research Highlight Unleashing Quantum Computing for Quantum Chemistry from Constrained Optimization Developing a new scheme to more efficiently solve quantum chemistry problems. ( Read More )
APRIL 23, 2025 News Release Scientists Speed Up the Groundwork Essential for Quantum Computing Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing. ( Read More )
MARCH 18, 2025 Feature Researchers Put Frontier AI Models Through Paces to See What Sticks at AI Jam Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery. ( Read More )
JANUARY 17, 2025 Article The Youth Are Our Future: Mentor Mariefel Olarte Invests in Interns PNNL chemical engineer Mariefel Olarte shares passion for mentoring students and the next-generation workforce. ( Read More )
JANUARY 17, 2025 Article Democratizing Computational Chemistry with the Cloud PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all. ( Read More )
JANUARY 17, 2025 Feature Flow Across Scales with a Quantum Computing Boost A potential quantum advantage for fluid dynamics simulations from molecular to atmospheric scales with a new formula for success. ( Read More )
JANUARY 14, 2025 Research Highlight Porting Scalable Computational Chemistry to Cloud Computing Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations. ( Read More )
JANUARY 10, 2025 Article New AI Agent Connects Computer Reasoning with Chemistry CACTUS provides AI-powered cheminformatics for autonomous science. ( Read More )
DECEMBER 10, 2024 Research Highlight Polaritonic Chemistry with the Density Matrix Renormalization Group Method Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems. ( Read More )
NOVEMBER 7, 2024 Article Longtime PNNL Collaborator Received Nobel Prize University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design. ( Read More )
OCTOBER 28, 2024 Feature Collaboration Speeds Complex Chemical Modeling Calculating quantum chemistry quickly allows scientists to refine their understanding of complex chemical systems. ( Read More )
OCTOBER 21, 2024 News Release Cloud Computing Captures Chemistry Code The speed and agility of cloud computing opens doors to completing advanced computational chemistry workflows in days instead of months. ( Read More )
OCTOBER 16, 2024 Staff Accomplishment Exploring Energy Efficiency through Analog Computing Researchers discussed this topic at the 2024 Analog Computing for Science Workshop co-led by Antonino Tumeo. ( Read More )
SEPTEMBER 10, 2024 Feature Three PNNL Researchers Receive DOE Early Career Research Awards Three PNNL researchers will receive five continuous years of funding for projects through highly competitive DOE Early Career Research Program awards. ( Read More )
AUGUST 22, 2024 Article Novel Computing Tool Learns the Language of Chemistry ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts. ( Read More )
JULY 23, 2024 News Release PNNL Scientists Tap Nation’s Fastest Computers to Explore Critical Science Questions Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers. ( Read More )
JUNE 3, 2024 Research Highlight Developing New Computational Methods for Atomic-to-Mesoscale Chemistry A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility. ( Read More )
APRIL 25, 2024 Article Co-Designing the Future of Computational Chemistry New research informs the development of foundational models for computational chemistry through hardware-software co-design. ( Read More )
APRIL 3, 2024 Feature Computational Chemistry Needs To Be Sustainable, Too As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems. ( Read More )
