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Peter C. St. John

National Renewable Energy Laboratory

34H指数
214论文数
5.6K被引数
收录论文 42
发表时间
Designing green chemicals by predicting vaporization properties using explainable graph attention networks
err2024-01-01
err0
errOAAI
errKim, Yeonjoon; Cho, Jaeyoung; Jung, Hojin; Meyer, Lydia E.; Fioroni, Gina M.; Stubbs, Christopher D.; Jeong, Keunhong; McCormick, Robert L.; St. John, Peter C.; Kim, Seonah
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Effect of the β-hydroxy group on ester reactivity: Combustion kinetics of methyl hexanoate and methyl 3-hydroxyhexanoate
err2023-12-01
err3
PREAI
errMohamed, Samah Y.; Naser, Nimal; Fioroni, Gina; Luecke, Jon; Kim, Yeonjoon; St John, Peter C.; Mccormick, Robert; Kim, Seonah
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PolyID: Artificial Intelligence for Discovering Performance-Advantaged and Sustainable Polymers
err2023-10-19
err12
errOAAI
errWilson, A. Nolan; St John, Peter C.; Marin, Daniela H.; Hoyt, Caroline B.; Rognerud, Erik G.; Nimlos, Mark R.; Cywar, Robin M.; Rorrer, Nicholas A.; Shebek, Kevin M.; Broadbelt, Linda J.; Beckham, Gregg T.; Crowley, Michael F.
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Expansion of bond dissociation prediction with machine learning to medicinally and environmentally relevant chemical space
err2023-01-01
err9
errOAAI
errSowndarya, S. V. Shree; Kim, Yeonjoon; Kim, Seonah; John, Peter C. St.; Paton, Robert S.
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Upper-Bound Energy Minimization to Search for Stable Functional Materials with Graph Neural Networks
errJACS AU
IF8.7
err2022-12-31
err9
errOAAI
errLaw, Jeffrey N.; Pandey, Shubham; Gorai, Prashun; John, Peter C. St.
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Muconic acid production from glucose and xylose in Pseudomonas putida via evolution and metabolic engineering
err2022-08-22
err60
errOAAI
errLing, Chen; Peabody, George L.; Salvachua, Davinia; Kim, Young-Mo; Kneucker, Colin M.; Calvey, Christopher H.; Monninger, Michela A.; Munoz, Nathalie Munoz; Poirier, Brenton C.; Ramirez, Kelsey J.; St John, Peter C.; Woodworth, Sean P.; Magnuson, Jon K.; Burnum-Johnson, Kristin E.; Guss, Adam M.; Johnson, Christopher W.; Beckham, Gregg T.
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Multi-objective goal-directed optimization of de novo stable organic radicals for aqueous redox flow batteries水溶液氧化还原液流电池从头稳定有机自由基的多目标目标导向优化
err2022-08-04
err41
errOAAI
errSowndarya, Shree S., V; Law, Jeffrey N.; Tripp, Charles E.; Duplyakin, Dmitry; Skordilis, Erotokritos; Biagioni, David; Paton, Robert S.; St John, Peter C.
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Bioderived ether design for low soot emission and high reactivity transport fuels
err2022-01-01
err6
PREAI
errCho, Jaeyoung; Kim, Yeonjoon; Etz, Brian D.; Fioroni, Gina M.; Naser, Nimal; Zhu, Junqing; Xiang, Zhanhong; Hays, Cameron; Alegre-Requena, Juan V.; St John, Peter C.; Zigler, Bradley T.; McEnally, Charles S.; Pfefferle, Lisa D.; McCormick, Robert L.; Kim, Seonah
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Predicting energy and stability of known and hypothetical crystals using graph neural network
err2021-11-01
err23
errOAAI
errPandey, Shubham; Qu, Jiaxing; Vladan, Stevanovi C.; John, Peter St.; Gorai, Prashun
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Bayesian Inference for Integrating Yarrowia lipolytica Multiomics Datasets with Metabolic Modeling将解脂耶氏酵母多组学数据集与代谢建模相结合的贝叶斯推理
err2021-10-12
err6
errOAAI
errMcNaughton, Andrew D.; Bredeweg, Erin L.; Manzer, James; Zucker, Jeremy; Munoz, Nathalie Munoz; Burnet, Meagan C.; Nakayasu, Ernesto S.; Pomraning, Kyle R.; Merkley, Eric D.; Dai, Ziyu; Chrisler, William B.; Baker, Scott E.; St John, Peter C.; Kumar, Neeraj
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Property predictions demonstrate that structural diversity can improve the performance of polyoxymethylene ethers as potential bio-based diesel fuels
errFUEL
IF7.5
err2021-07-01
err31
errOAAI
errBartholet, Danielle L.; Arellano-Trevino, Martha A.; Chan, Fan Liang; Lucas, Stephen; Zhu, Junqing; St John, Peter C.; Alleman, Teresa L.; McEnally, Charles S.; Pfefferle, Lisa D.; Ruddy, Daniel A.; Windom, Bret; Foust, Thomas D.; Reardon, Kenneth F.
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Understanding how chemical structure affects ignition-delay-time φ-sensitivity
err2021-03-01
err6
errOAAI
errMesserly, Richard A.; Luecke, Jon H.; St John, Peter C.; Etz, Brian D.; Kim, Yeonjoon; Zigler, Bradley T.; McCormick, Robert L.; Kim, Seonah
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Importance of Engineered and Learned Molecular Representations in Predicting Organic Reactivity, Selectivity, and Chemical Properties
err2021-02-03
err75
PREAI
errGallegos, Liliana C.; Luchini, Guilian; St John, Peter C.; Kim, Seonah; Paton, Robert S.
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Biochemical Production with Purified Cell-Free Systems用纯化的无细胞系统进行生化生产
err2021-02-01
err7
errOAAI
errRollin, Joseph A.; Bomble, Yannick J.; St John, Peter C.; Stark, Addison K.
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Real-time prediction of 1H and 13C chemical shifts with DFT accuracy using a 3D graph neural network
err2021-01-01
err76
errOAAI
errGuan, Yanfei; Shree Sowndarya, S. V.; Gallegos, Liliana C.; St. John, Peter C.; Paton, Robert S.
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A perspective on biomass-derived biofuels: From catalyst design principles to fuel properties
err2020-12-01
err22
errOAAI
errKim, Yeonjoon; Thomas, Anna E.; Robichaud, David J.; Iisa, Kristiina; St John, Peter C.; Etz, Brian D.; Fioroni, Gina M.; Dutta, Abhijit; McCormick, Robert L.; Mukarakate, Calvin; Kim, Seonah
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