Learning to Prepare Molecular Ground States with Transformer Models
使用Transformer模型学习制备分子基态
Alex Koziell-Pipe, Jasmine Brewer, Jem Guhit, Marwa H. Farag, Kripa Panchagnula, Gabriel Laude, Fabian Finger, Carlo Gaggioli, Ludmila Szulakowska, Oliver J. Backhouse, Christos Papalitsas, Jason G. Mustakis, Thomas Soini, David Munoz Ramo, Stephen Clark, Elica Kyoseva, Enrico Rinaldi
机构
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Quantinuum
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NVIDIA Corporation(NVIDIA公司)
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Chemical R&D(化学研发部)
;
Center for Digital Innovation(数字创新中心)