المؤلفون: Pauric Bannigan, Zeqing Bao, Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik, Christine Allen

المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-12 (2023)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/256dcc5f7458463f829f40bd7b6f49fa

المؤلفون: Melodie Christensen, Lars P. E. Yunker, Folarin Adedeji, Florian Häse, Loïc M. Roch, Tobias Gensch, Gabriel dos Passos Gomes, Tara Zepel, Matthew S. Sigman, Alán Aspuru-Guzik, Jason E. Hein

المصدر: Communications Chemistry, Vol 4, Iss 1, Pp 1-12 (2021)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3669

URL الوصول: https://doaj.org/article/fc4f62943ff64484b8d72e580bfeb7ba

المؤلفون: Tim Menke, Florian Häse, Simon Gustavsson, Andrew J. Kerman, William D. Oliver, Alán Aspuru-Guzik

المصدر: npj Quantum Information, Vol 7, Iss 1, Pp 1-8 (2021)

مصطلحات موضوعية: Physics, QC1-999, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2056-6387

URL الوصول: https://doaj.org/article/df8c7ae8c8084067ba34d140a9433022

المؤلفون: Florian Häse, Loïc M. Roch, Pascal Friederich, Alán Aspuru-Guzik

المصدر: Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/8e95f0aafa4d4b12ab2e077e5b7f3b6f

المؤلفون: Florian Häse, Loïc M. Roch, Christoph Kreisbeck, Alán Aspuru-Guzik

المصدر: ACS Central Science, Vol 4, Iss 9, Pp 1134-1145 (2018)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/5f9c1a5953b348cbb7ac533588af01da

المؤلفون: Stéphanie Valleau, Romain A. Studer, Florian Häse, Christoph Kreisbeck, Rafael G. Saer, Robert E. Blankenship, Eugene I. Shakhnovich, Alán Aspuru-Guzik

المصدر: ACS Central Science, Vol 3, Iss 10, Pp 1086-1095 (2017)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7943; https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/f8326317a735443895ae6134b5b39f2a

المؤلفون: Loïc M Roch, Florian Häse, Christoph Kreisbeck, Teresa Tamayo-Mendoza, Lars P E Yunker, Jason E Hein, Alán Aspuru-Guzik

المصدر: PLoS ONE, Vol 15, Iss 4, p e0229862 (2020)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1932-6203

URL الوصول: https://doaj.org/article/76c3483475504d4cbef964a65abffa9e

المؤلفون: Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, Alan Aspuru-Guzik

المصدر: Machine Learning: Science and Technology, Vol 1, Iss 4, p 045024 (2020)

مصطلحات موضوعية: deep generative models, formal grammar, inverse molecular design, molecular graph representation, Computer engineering. Computer hardware, TK7885-7895, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2632-2153

URL الوصول: https://doaj.org/article/38aefb59b152494cb40c565569412f4e

المؤلفون: Mario Krenn, Robert Pollice, Si Yue Guo, Matteo Aldeghi, Alba Cervera-Lierta, Pascal Friederich, Gabriel dos Passos Gomes, Florian Häse, Adrian Jinich, AkshatKumar Nigam, Zhenpeng Yao, Alán Aspuru-Guzik

المصدر: Nature Reviews Physics

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), FOS: Computer and information sciences, Computer Science - Computers and Society, Computer Science - Machine Learning, Physics - Chemical Physics, Computers and Society (cs.CY), FOS: Physical sciences, General Physics and Astronomy, Machine Learning (cs.LG)

وصف الملف: application/pdf; image/png

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52c60826c9de88c0682e222bcb636ba1
https://doi.org/10.1038/s42254-022-00518-3

المؤلفون: Riley J. Hickman, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik

المصدر: Digital Discovery. 1:732-744

مصطلحات موضوعية: FOS: Computer and information sciences, Condensed Matter - Materials Science, Computer Science - Machine Learning, Optimization and Control (math.OC), FOS: Mathematics, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Mathematics - Optimization and Control, Machine Learning (cs.LG)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0d96ab3d81ea248729575bdf6f7a90b
https://doi.org/10.1039/d2dd00028h

المؤلفون: Pauric Bannigan, Zeqing Bao, RILEY HICKMAN, Matteo Aldeghi, Florian Häse, Alán Aspuru-Guzik, Christine Allen

مصطلحات موضوعية: Multidisciplinary, machine learning, materials science, drug delivery, General Physics and Astronomy, long-acting injectables, General Chemistry, General Biochemistry, Genetics and Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68142ac1f133290e3924823c40cb929d
https://doi.org/10.26434/chemrxiv-2021-mxrxw-v3

المؤلفون: Alán Aspuru-Guzik, Tobias Gensch, Florian Häse, Gabriel dos Passos Gomes, Tara Zepel, Lars P. E. Yunker, Folarin Adedeji, Jason E. Hein, Loïc M. Roch, Matthew S. Sigman, Melodie Christensen

المصدر: Communications Chemistry, Vol 4, Iss 1, Pp 1-12 (2021)

مصطلحات موضوعية: Mathematical optimization, 010405 organic chemistry, Process (engineering), Computer science, General Chemistry, 010402 general chemistry, 01 natural sciences, Biochemistry, 0104 chemical sciences, Set (abstract data type), Range (mathematics), Chemistry, Product (mathematics), Materials Chemistry, Feature (machine learning), Environmental Chemistry, Process optimization, Cluster analysis, Categorical variable, QD1-999

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::330782630d5e1a623536a1b0f6e8cada
https://doaj.org/article/fc4f62943ff64484b8d72e580bfeb7ba

المؤلفون: Florian Häse, Alán Aspuru-Guzik, Jonny Proppe, Pascal Friederich

المصدر: Nature Materials. 20:750-761

مصطلحات موضوعية: Bridging (networking), Process (engineering), Active learning (machine learning), Mechanical Engineering, Computation, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Field (computer science), 0104 chemical sciences, Molecular dynamics, Data acquisition, Mechanics of Materials, Systems engineering, General Materials Science, 0210 nano-technology, Simulation methods

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6e5ab5bf6c1b602e60d82dd30e5f7189
https://doi.org/10.1038/s41563-020-0777-6

المؤلفون: Alán Aspuru-Guzik, Pascal Friederich, Florian Häse, Salvador León, Semion K. Saikin, Randall H. Goldsmith, Loïc M. Roch

المصدر: ACS Nano

مصطلحات موضوعية: Coupling, Materials science, Absorption spectroscopy, business.industry, Intermolecular force, General Engineering, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Machine learning, computer.software_genre, 01 natural sciences, Spectral line, 0104 chemical sciences, Characterization (materials science), Molecular dynamics, PEDOT:PSS, Ab initio quantum chemistry methods, General Materials Science, Artificial intelligence, 0210 nano-technology, business, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf62dd01673fb6bba277cc9db099a2a5
https://doi.org/10.1021/acsnano.0c00384

المؤلفون: Florian Häse, Matteo Aldeghi, Isaac Tamblyn, Alán Aspuru-Guzik, Riley J. Hickman

المصدر: Chemical Science

مصطلحات موضوعية: FOS: Computer and information sciences, Computer Science - Machine Learning, Process (engineering), Computer science, FOS: Physical sciences, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Machine Learning (cs.LG), Robustness (computer science), Physics - Chemical Physics, FOS: Mathematics, Process optimization, Mathematics - Optimization and Control, Chemical Physics (physics.chem-ph), Protocol (science), Design of experiments, General Chemistry, Maximization, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Chemistry, Noise, Optimization and Control (math.OC), Benchmark (computing), 0210 nano-technology, Algorithm

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6e1ddf9e702a1fdcb95cbaa25e90738
https://nrc-publications.canada.ca/eng/view/object/?id=7462f814-06a2-400c-922d-44f8d6fef347

المؤلفون: Pauric Bannigan, Florian Häse, Matteo Aldeghi, Zeqing Bao, Alán Aspuru-Guzik, Christine Allen

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::588fbb8ecb81647ef832daf8628f85b2
https://doi.org/10.26434/chemrxiv-2021-mxrxw

المؤلفون: Christine Allen, Florian Häse, Pauric Bannigan, Zeqing Bao, Matteo Aldeghi, Alán Aspuru-Guzik

مصطلحات موضوعية: Training set, Artificial neural network, Drug discovery, business.industry, Pharmaceutical formulation, Machine learning, computer.software_genre, Long acting, Drug delivery, Drug release, Artificial intelligence, business, Patient compliance, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::de00c65c6228c4c0d43611991ec454ef
https://doi.org/10.33774/chemrxiv-2021-mxrxw

المؤلفون: Arielle Rothman, Siavash Zamirpour, Tim Menke, Teresa Tamayo-Mendoza, Alán Aspuru-Guzik, Sukin Sim, Jonathan Romero, Shreya Menon, Florian Häse, Santiago Vargas

المصدر: Journal of Chemical Education. 97:689-694

مصطلحات موضوعية: Cooperative learning, business.industry, Software development, General Chemistry, Python (programming language), Automation, Education, Computational science, Visualization, Team-based learning, Software, Data visualization, business, computer, computer.programming_language

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1df27ec523b03d5c313b2cef05e9651b
https://doi.org/10.1021/acs.jchemed.9b00603

المؤلفون: Loïc M. Roch, Florian Häse, Alán Aspuru-Guzik

المصدر: Trends in Chemistry. 1:282-291

مصطلحات موضوعية: Business process discovery, Acceleration, Self driving, Computer science, Process (engineering), Scientific discovery, Systems engineering, Capital intensity, General Chemistry, Feedback loop

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2f96de2a2a5d403b56d84b2ffe997ace
https://doi.org/10.1016/j.trechm.2019.02.007

المؤلفون: Benjamin Lux, Miriam Frömel, Gustav Resch, Florian Hasengst, Frank Sensfuß

المصدر: Energy Strategy Reviews, Vol 56, Iss , Pp 101589- (2024)

مصطلحات موضوعية: RES share variations, Self-sufficiency, Hydrogen transport flows, Greenhouse gas neutrality, Energy system modeling, Energy industries. Energy policy. Fuel trade, HD9502-9502.5

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2211467X24002980; https://doaj.org/toc/2211-467X

URL الوصول: https://doaj.org/article/112edcf0894049ecaca8fc177b752620