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Medford, Andrew J.
294  Ergebnisse:
Personensuche X
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1

Self‐Consistent Convolutional Density Functional Approximat..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem.  25 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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2

Electrocatalysts for Inorganic and Organic Waste Nitrogen C..:

Chipoco Haro, Danae A. ; Barrera, Luisa ; Iriawan, Haldrian...
ACS Catalysis.  14 (2024)  13 - p. 9752-9775 , 2024
Link: https://doi.org/10.1021/..
 
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3

Maximum-likelihood estimators in physics-informed neural ne..:

Gusmão, Gabriel S. ; Medford, Andrew J.
Computers & Chemical Engineering.  181 (2024)  - p. 108547 , 2024
Link: https://doi.org/10.1016/..
 
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4

Model-Based Design of Experiments for Temporal Analysis of ..:

Yonge, Adam ; Gusmão, Gabriel S. ; Fushimi, Rebecca.
Industrial & Engineering Chemistry Research.  63 (2024)  11 - p. 4756-4770 , 2024
Link: https://doi.org/10.1021/..
 
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5

Cover Feature: Self‐Consistent Convolutional Density Functi..:

Sahoo, Sushree Jagriti ; Xu, Qimen ; Lei, Xiangyun...
ChemPhysChem.  25 (2024)  10 - p. , 2024
Link: https://doi.org/10.1002/..
 
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6

Impact of Local Microenvironments on the Selectivity of Ele..:

Huang, Po‐Wei ; Song, Hakhyeon ; Yoo, Jaeyoung...
Advanced Energy Materials.  , 2024
Link: https://doi.org/10.1002/..
 
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7

SPARC v2.0.0: Spin-orbit coupling, dispersion interactions,..:

Zhang, Boqin ; Jing, Xin ; Xu, Qimen...
Software Impacts.  20 (2024)  - p. 100649 , 2024
Link: https://doi.org/10.1016/..
 
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8

Assessing Exchange-Correlation Functionals for Heterogeneou..:

Kim, Honghui ; Yu, Neung-Kyung ; Tian, Nianhan.
The Journal of Physical Chemistry C.  128 (2024)  27 - p. 11159-11175 , 2024
Link: https://doi.org/10.1021/..
 
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9

Overcoming the Chemical Complexity Bottleneck in on-the-Fly..:

Timmerman, Lucas R. ; Kumar, Shashikant ; Suryanarayana, Phanish.
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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10

The Open DAC 2023 Dataset and Challenges for Sorbent Discov..:

Sriram, Anuroop ; Choi, Sihoon ; Yu, Xiaohan...
ACS Central Science.  10 (2024)  5 - p. 923-941 , 2024
Link: https://doi.org/10.1021/..
 
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11

2023 roadmap on ammonia as a carbon-free fuel:

David, William I F ; Agnew, Gerry D ; Bañares-Alcántara, René...
Journal of Physics: Energy.  6 (2024)  2 - p. 021501 , 2024
Link: https://doi.org/10.1088/..
 
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12

Automated Generation of Microkinetics for Heterogeneously C..:

Kreitz, Bjarne ; Lott, Patrick ; Studt, Felix...
Angewandte Chemie International Edition.  62 (2023)  39 - p. , 2023
Link: https://doi.org/10.1002/..
 
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13

AmpTorch: A Python package for scalablefingerprint-based ne..:

Shuaibi, Muhammed ; Hu, Yuge ; Lei, Xiangyun...
Journal of Open Source Software.  8 (2023)  87 - p. 5035 , 2023
Link: https://doi.org/10.21105..
 
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14

Automatisierte Generierung von Mikrokinetiken für heterogen..:

Kreitz, Bjarne ; Lott, Patrick ; Studt, Felix...
Angewandte Chemie.  135 (2023)  39 - p. , 2023
Link: https://doi.org/10.1002/..
 
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15

Kinetics-informed neural networks:

Gusmão, Gabriel S. ; Retnanto, Adhika P. ; Cunha, Shashwati C. da.
Catalysis Today.  417 (2023)  - p. 113701 , 2023
Link: https://doi.org/10.1016/..
 
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