From the 32.6 million materials, AI inference predicted an initial 500,000 stable material candidates. Traditional physics-based HPC simulations further winnowed the pool of candidates. The electrolyte was identified after applying a final set of AI property-prediction filters developed with the PNNL team based on expert criteria.
Raw material is ground down to the final material and compacted by a press into a pellet. The pellet is combined with an anode (-) and cathode (+), which allow the prototype to be charged and to provide power.
Pacific Northwest National Laboratory materials scientist Shannon Lee mixes raw materials to synthesize a new solid electrolyte, one of the promising candidates predicted using AI and HPC tools in Microsoft's Azure Quantum Elements service. (Photo by Dan DeLong)
Dan Thien Nguyen, a Pacific Northwest National Laboratory materials scientist, assembles a coin cell with the synthesized solid electrolyte. (Photo by Dan DeLong)
Pacific Northwest National Laboratory materials scientist Dan Thien Nguyen examines the performance of the new solid electrolyte in full cell configuration under controlled pressure and temperature. (Photo by Dan DeLong)
Vijay Murugesan, material sciences group lead at Pacific Northwest National Laboratory, says the Microsoft AI and HPC tools allow scientists to eliminate the time-consuming trial-and-error discovery steps and focus on the best candidates for testing. (Photo by Andrea Starr for PNNL)
BASF chemist Dr. Fangfang Chu (left) and molecular simulation expert Dr. Eduard Schreiner discuss the computer simulation of microcapsules that enclose and protect the active ingredients of products like vitamins. BASF is using Azure Quantum Elements to help increase the speed and efficiency of development. (Credit: BASF SE)
A Johnson Matthey engineer inspects a monolith, the catalyst support that is a key component of a catalytic converter. Johnson Matthey scientists are using Azure Quantum Elements to accelerate research into the chemicals that coat a monolith and convert harmful exhaust gases into nontoxic products. (Credit: Johnson Matthey)
A Johnson Matthey employee applies a catalyst coating to a supporting structure – a key component of a catalytic converter. Johnson Matthey scientists are using Azure Quantum Elements to speed up innovation into sustainable technologies. (Credit: Johnson Matthey)
