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1	Material Type: Article	OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features The Journal of chemical physics, 2020-09, Vol.153 (12), p.124111-124111 [Peer Reviewed Journal] Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0021955 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
2	Material Type: Article	Accelerating high-throughput virtual screening through molecular pool-based active learning Chemical science (Cambridge), 2021-04, Vol.12 (22), p.7866-7881 [Peer Reviewed Journal] This journal is © The Royal Society of Chemistry. ;Copyright Royal Society of Chemistry 2021 ;This journal is © The Royal Society of Chemistry 2021 The Royal Society of Chemistry ;ISSN: 2041-6520 ;EISSN: 2041-6539 ;DOI: 10.1039/d0sc06805e ;PMID: 34168840 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
3	Material Type: Article	A perspective on scaling up quantum computation with molecular spins Applied physics letters, 2021-06, Vol.118 (24) [Peer Reviewed Journal] Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0003-6951 ;EISSN: 1077-3118 ;DOI: 10.1063/5.0053378 ;CODEN: APPLAB Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
4	Material Type: Article	Machine learning-accelerated computational fluid dynamics Proceedings of the National Academy of Sciences - PNAS, 2021-05, Vol.118 (21), p.1 [Peer Reviewed Journal] Copyright © 2021 the Author(s). Published by PNAS. ;Copyright National Academy of Sciences May 25, 2021 ;Copyright © 2021 the Author(s). Published by PNAS. 2021 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2101784118 ;PMID: 34006645 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
5	Material Type: Article	Machine-learned potentials for next-generation matter simulations Nature materials, 2021-06, Vol.20 (6), p.750-761 [Peer Reviewed Journal] Springer Nature Limited 2021. ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-020-0777-6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
6	Material Type: Article	Low-Depth Quantum Simulation of Materials Physical review. X, 2018-03, Vol.8 (1), p.011044, Article 011044 [Peer Reviewed Journal] 2018. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 2160-3308 ;EISSN: 2160-3308 ;DOI: 10.1103/PhysRevX.8.011044 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
7	Material Type: Article	Hierarchical machine learning of potential energy surfaces The Journal of chemical physics, 2020-05, Vol.152 (20), p.204110-204110 [Peer Reviewed Journal] Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0006498 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
8	Material Type: Article	Fast and Scalable Gaussian Process Modeling with Applications to Astronomical Time Series The Astronomical journal, 2017-12, Vol.154 (6), p.220 [Peer Reviewed Journal] 2017. The American Astronomical Society. All rights reserved. ;Copyright IOP Publishing Dec 2017 ;ISSN: 0004-6256 ;EISSN: 1538-3881 ;DOI: 10.3847/1538-3881/aa9332 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
9	Material Type: Article	Machine Learning a General-Purpose Interatomic Potential for Silicon Physical review. X, 2018-12, Vol.8 (4), p.041048, Article 041048 [Peer Reviewed Journal] 2018. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 2160-3308 ;EISSN: 2160-3308 ;DOI: 10.1103/PhysRevX.8.041048 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
10	Material Type: Article	What Limits the Simulation of Quantum Computers? Physical review. X, 2020-11, Vol.10 (4), p.041038, Article 041038 [Peer Reviewed Journal] 2020. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 2160-3308 ;EISSN: 2160-3308 ;DOI: 10.1103/PhysRevX.10.041038 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
11	Material Type: Article	Choosing the right molecular machine learning potential Chemical science (Cambridge), 2021-11, Vol.12 (43), p.14396-14413 [Peer Reviewed Journal] This journal is © The Royal Society of Chemistry. ;Copyright Royal Society of Chemistry 2021 ;Distributed under a Creative Commons Attribution 4.0 International License ;This journal is © The Royal Society of Chemistry 2021 The Royal Society of Chemistry ;ISSN: 2041-6520 ;EISSN: 2041-6539 ;DOI: 10.1039/d1sc03564a ;PMID: 34880991 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
12	Material Type: Article	Speeding Up MCMC by Efficient Data Subsampling Journal of the American Statistical Association, 2019-04, Vol.114 (526), p.831-843 [Peer Reviewed Journal] 2018 The Authors. Published with License by Taylor and Francis 2018 ;ISSN: 0162-1459 ;EISSN: 1537-274X ;DOI: 10.1080/01621459.2018.1448827 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
13	Material Type: Article	Improved Handwritten Digit Recognition Using Convolutional Neural Networks (CNN) Sensors (Basel, Switzerland), 2020-06, Vol.20 (12), p.3344 [Peer Reviewed Journal] 2020. This work is licensed under http://creativecommons.org/licenses/by/3.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;2020 by the authors. 2020 ;ISSN: 1424-8220 ;EISSN: 1424-8220 ;DOI: 10.3390/s20123344 ;PMID: 32545702 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
14	Material Type: Article	Recent advances in lattice thermal conductivity calculation using machine-learning interatomic potentials Journal of applied physics, 2021-12, Vol.130 (21) [Peer Reviewed Journal] Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-8979 ;EISSN: 1089-7550 ;DOI: 10.1063/5.0069443 ;CODEN: JAPIAU Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
15	Material Type: Article	How to quantify and avoid finite size effects in computational studies of crystal nucleation: The case of heterogeneous ice nucleation The Journal of chemical physics, 2021-01, Vol.154 (1), p.014108-014108 [Peer Reviewed Journal] Author(s) ;2021 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0026355 ;PMID: 33412862 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
16	Material Type: Article	A New Numerical Scheme for Cosmic-Ray Transport The Astrophysical journal, 2018-02, Vol.854 (1), p.5 [Peer Reviewed Journal] 2018. The American Astronomical Society. All rights reserved. ;Copyright IOP Publishing Feb 10, 2018 ;ISSN: 0004-637X ;EISSN: 1538-4357 ;DOI: 10.3847/1538-4357/aaa6ce Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
17	Material Type: Article	Many recent density functionals are numerically ill-behaved The Journal of chemical physics, 2022-11, Vol.157 (17), p.174114-174114 [Peer Reviewed Journal] Author(s) ;2022 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0121187 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
18	Material Type: Article	Excited States From State Specific Orbital Optimized Pair Coupled Cluster Journal of chemical theory and computation, 2021-08, Vol.17 (8) [Peer Reviewed Journal] Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1549-9618 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.1c00348 Digital Resources/Online E-Resources View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
19	Material Type: Article	Nuclear quantum effects enter the mainstream Nature reviews. Chemistry, 2018-03, Vol.2 (3), Article 0109 [Peer Reviewed Journal] Macmillan Publishers Limited 2018. ;ISSN: 2397-3358 ;EISSN: 2397-3358 ;DOI: 10.1038/s41570-017-0109 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by
20	Material Type: Article	An entropy-maximization approach to automated training set generation for interatomic potentials The Journal of chemical physics, 2020-09, Vol.153 (9), p.094110-094110 [Peer Reviewed Journal] U.S. Government ;2020U.S. Government ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0013059 ;CODEN: JCPSA6 Full text available View Online Details Recommendations Reviews Times Cited External Links Citations Cited by

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Results 1 - 20 of 1,487 for All Library Resources

Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0021955 ;CODEN: JCPSA6

This journal is © The Royal Society of Chemistry. ;Copyright Royal Society of Chemistry 2021 ;This journal is © The Royal Society of Chemistry 2021 The Royal Society of Chemistry ;ISSN: 2041-6520 ;EISSN: 2041-6539 ;DOI: 10.1039/d0sc06805e ;PMID: 34168840

Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0003-6951 ;EISSN: 1077-3118 ;DOI: 10.1063/5.0053378 ;CODEN: APPLAB

Copyright © 2021 the Author(s). Published by PNAS. ;Copyright National Academy of Sciences May 25, 2021 ;Copyright © 2021 the Author(s). Published by PNAS. 2021 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2101784118 ;PMID: 34006645

Springer Nature Limited 2021. ;ISSN: 1476-1122 ;EISSN: 1476-4660 ;DOI: 10.1038/s41563-020-0777-6

2018. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 2160-3308 ;EISSN: 2160-3308 ;DOI: 10.1103/PhysRevX.8.011044

Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0006498 ;CODEN: JCPSA6

2017. The American Astronomical Society. All rights reserved. ;Copyright IOP Publishing Dec 2017 ;ISSN: 0004-6256 ;EISSN: 1538-3881 ;DOI: 10.3847/1538-3881/aa9332

2018. This work is licensed under https://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 2160-3308 ;EISSN: 2160-3308 ;DOI: 10.1103/PhysRevX.8.041048

2018 The Authors. Published with License by Taylor and Francis 2018 ;ISSN: 0162-1459 ;EISSN: 1537-274X ;DOI: 10.1080/01621459.2018.1448827

Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-8979 ;EISSN: 1089-7550 ;DOI: 10.1063/5.0069443 ;CODEN: JAPIAU

Author(s) ;2021 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0026355 ;PMID: 33412862 ;CODEN: JCPSA6

2018. The American Astronomical Society. All rights reserved. ;Copyright IOP Publishing Feb 10, 2018 ;ISSN: 0004-637X ;EISSN: 1538-4357 ;DOI: 10.3847/1538-4357/aaa6ce

Author(s) ;2022 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0121187 ;CODEN: JCPSA6

Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1549-9618 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.1c00348

Macmillan Publishers Limited 2018. ;ISSN: 2397-3358 ;EISSN: 2397-3358 ;DOI: 10.1038/s41570-017-0109

U.S. Government ;2020U.S. Government ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0013059 ;CODEN: JCPSA6

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