المؤلفون: Boiko, Daniil A., Reschützegger, Thiago, Sanchez-Lengeling, Benjamin, Blau, Samuel M., Gomes, Gabe

مصطلحات موضوعية: Computer Science - Machine Learning, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2408.04520

المؤلفون: Yuan, Eric C. -Y., Kumar, Anup, Guan, Xingyi, Hermes, Eric D., Rosen, Andrew S., Zádor, Judit, Head-Gordon, Teresa, Blau, Samuel M.

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2405.02247

المؤلفون: Batatia, Ilyes, Benner, Philipp, Chiang, Yuan, Elena, Alin M., Kovács, Dávid P., Riebesell, Janosh, Advincula, Xavier R., Asta, Mark, Avaylon, Matthew, Baldwin, William J., Berger, Fabian, Bernstein, Noam, Bhowmik, Arghya, Blau, Samuel M., Cărare, Vlad, Darby, James P., De, Sandip, Della Pia, Flaviano, Deringer, Volker L., Elijošius, Rokas, El-Machachi, Zakariya, Falcioni, Fabio, Fako, Edvin, Ferrari, Andrea C., Genreith-Schriever, Annalena, George, Janine, Goodall, Rhys E. A., Grey, Clare P., Grigorev, Petr, Han, Shuang, Handley, Will, Heenen, Hendrik H., Hermansson, Kersti, Holm, Christian, Jaafar, Jad, Hofmann, Stephan, Jakob, Konstantin S., Jung, Hyunwook, Kapil, Venkat, Kaplan, Aaron D., Karimitari, Nima, Kermode, James R., Kroupa, Namu, Kullgren, Jolla, Kuner, Matthew C., Kuryla, Domantas, Liepuoniute, Guoda, Margraf, Johannes T., Magdău, Ioan-Bogdan, Michaelides, Angelos, Moore, J. Harry, Naik, Aakash A., Niblett, Samuel P., Norwood, Sam Walton, O'Neill, Niamh, Ortner, Christoph, Persson, Kristin A., Reuter, Karsten, Rosen, Andrew S., Schaaf, Lars L., Schran, Christoph, Shi, Benjamin X., Sivonxay, Eric, Stenczel, Tamás K., Svahn, Viktor, Sutton, Christopher, Swinburne, Thomas D., Tilly, Jules, van der Oord, Cas, Varga-Umbrich, Eszter, Vegge, Tejs, Vondrák, Martin, Wang, Yangshuai, Witt, William C., Zills, Fabian, Csányi, Gábor

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2401.00096

المؤلفون: Yuan, Eric C-Y, Kumar, Anup, Guan, Xingyi, Hermes, Eric D, Rosen, Andrew S, Zádor, Judit, Head-Gordon, Teresa, Blau, Samuel M

المصدر: Nature Communications. 15(1)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Machine Learning and Artificial Intelligence, Networking and Information Technology R&D (NITRD)

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8n25f27s
https://escholarship.org/content/qt8n25f27s/qt8n25f27s.pdf

المؤلفون: Spotte-Smith, Evan Walter Clark, Blau, Samuel M, Barter, Daniel, Leon, Noel J, Hahn, Nathan T, Redkar, Nikita S, Zavadil, Kevin R, Liao, Chen, Persson, Kristin A

المصدر: Journal of the American Chemical Society. 145(22)

مصطلحات موضوعية: Engineering, Materials Engineering, Chemical Sciences, Physical Chemistry, Affordable and Clean Energy, General Chemistry, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7tb2f8m5
https://escholarship.org/content/qt7tb2f8m5/qt7tb2f8m5.pdf

المؤلفون: Spotte-Smith, Evan Walter Clark, Petrocelli, Thea Bee, Patel, Hetal D, Blau, Samuel M, Persson, Kristin A

المصدر: ACS Energy Letters. 8(1)

مصطلحات موضوعية: Engineering, Materials Engineering, Chemical Sciences, Physical Chemistry, Affordable and Clean Energy, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/163455hr

المؤلفون: Spotte-Smith, Evan Walter Clark, Kam, Ronald L, Barter, Daniel, Xie, Xiaowei, Hou, Tingzheng, Dwaraknath, Shyam, Blau, Samuel M, Persson, Kristin A

المصدر: ACS Energy Letters. 7(4)

مصطلحات موضوعية: Engineering, Materials Engineering, Chemical Sciences, Physical Chemistry, Affordable and Clean Energy, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/4c1707n2
https://escholarship.org/content/qt4c1707n2/qt4c1707n2.pdf

المؤلفون: Wen, Mingjian, Blau, Samuel M, Xie, Xiaowei, Dwaraknath, Shyam, Persson, Kristin A

المصدر: Chemical Science. 13(5)

مصطلحات موضوعية: Chemical Sciences, Networking and Information Technology R&D (NITRD), Machine Learning and Artificial Intelligence, 1.4 Methodologies and measurements, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7m65p2jx
https://escholarship.org/content/qt7m65p2jx/qt7m65p2jx.pdf

المؤلفون: Xie, Xiaowei, Spotte-Smith, Evan Walter Clark, Wen, Mingjian, Patel, Hetal D, Blau, Samuel M, Persson, Kristin A

المصدر: Journal of the American Chemical Society. 143(33)

مصطلحات موضوعية: Engineering, Materials Engineering, Chemical Sciences, Physical Chemistry, Affordable and Clean Energy, General Chemistry, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/23s4511f
https://escholarship.org/content/qt23s4511f/qt23s4511f.pdf

المؤلفون: Spotte-Smith, Evan Walter Clark, Blau, Samuel M, Xie, Xiaowei, Patel, Hetal D, Wen, Mingjian, Wood, Brandon, Dwaraknath, Shyam, Persson, Kristin Aslaug

المصدر: Scientific data. 8(1)

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7dt9s03j

المؤلفون: Blau, Samuel M, Patel, Hetal D, Spotte-Smith, Evan Walter Clark, Xie, Xiaowei, Dwaraknath, Shyam, Persson, Kristin A

المصدر: Chemical Science. 12(13)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Bioengineering, Affordable and Clean Energy, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/74d533cn
https://escholarship.org/content/qt74d533cn/qt74d533cn.pdf

المؤلفون: Wen, Mingjian, Blau, Samuel M, Spotte-Smith, Evan Walter Clark, Dwaraknath, Shyam, Persson, Kristin A

المصدر: Chemical Science. 12(5)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Machine Learning and Artificial Intelligence, Networking and Information Technology R&D (NITRD), Affordable and Clean Energy, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0h62q1jn
https://escholarship.org/content/qt0h62q1jn/qt0h62q1jn.pdf

المؤلفون: Wen, Mingjian, Blau, Samuel M, Spotte-Smith, Evan Walter Clark, Dwaraknath, Shyam, Persson, Kristin A

المصدر: Chemical science. 12(5)

مصطلحات موضوعية: Chemical Sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0h62q1jn

المؤلفون: Spotte‐Smith, Evan Walter Clark, Yu, Peiyuan, Blau, Samuel M, Prasher, Ravi S, Jain, Anubhav

المصدر: Journal of Computational Chemistry. 41(24)

مصطلحات موضوعية: Chemical Sciences, Theoretical and Computational Chemistry, Affordable and Clean Energy, cycloaddition, density functional theory, Diels-Alder, thermal storage, thermochemical, Physical Chemistry (incl. Structural), Nanotechnology, Chemical Physics, Physical chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2fz5s6cm
https://escholarship.org/content/qt2fz5s6cm/qt2fz5s6cm.pdf

المؤلفون: Blau, Samuel M., Bennett, Doran I. G., Kreisbeck, Christoph, Scholes, Gregory D., Aspuru-Guzik, Alán

مصطلحات موضوعية: Physics - Chemical Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/1704.05449

المؤلفون: Barter, Daniel, Clark Spotte-Smith, Evan Walter, Redkar, Nikita S., Khanwale, Aniruddh, Dwaraknath, Shyam, Persson, Kristin A., Blau, Samuel M.

المساهمون: U.S. Department of Energy

المصدر: Digital Discovery ; volume 2, issue 1, page 123-137 ; ISSN 2635-098X

الاتاحة: https://doi.org/10.1039/d2dd00117a
http://pubs.rsc.org/en/content/articlepdf/2023/DD/D2DD00117A

المؤلفون: Spotte-Smith, Evan Walter Clark, Cohen, Orion Archer, Blau, Samuel M., Munro, Jason M., Yang, Ruoxi, Guha, Rishabh D., Patel, Hetal D., Vijay, Sudarshan, Huck, Patrick, Kingsbury, Ryan, Horton, Matthew K., Persson, Kristin A.

المساهمون: Kavli Foundation, Lawrence Berkeley National Laboratory, National Science Foundation, Office of Science, Basic Energy Sciences, U.S. Department of Energy, National Energy Research Scientific Computing Center, National Renewable Energy Laboratory

المصدر: Digital Discovery ; volume 2, issue 6, page 1862-1882 ; ISSN 2635-098X

الاتاحة: http://dx.doi.org/10.1039/d3dd00153a
http://pubs.rsc.org/en/content/articlepdf/2023/DD/D3DD00153A

المؤلفون: Xia, Xiaojing, Sivonxay, Eric, Helms, Brett A., Blau, Samuel M., Chan, Emory M.

المساهمون: Basic Energy Sciences, National Energy Research Scientific Computing Center, Lawrence Berkeley National Laboratory

المصدر: Nano Letters ; volume 23, issue 23, page 11129-11136 ; ISSN 1530-6984 1530-6992

الاتاحة: https://doi.org/10.1021/acs.nanolett.3c03568
https://pubs.acs.org/doi/pdf/10.1021/acs.nanolett.3c03568

المؤلفون: Garrison, Aaron G., Heras-Domingo, Javier, Kitchin, John R., dos Passos Gomes, Gabriel, Ulissi, Zachary W., Blau, Samuel M.

المساهمون: Mellon College of Science, Carnegie Mellon University, Lawrence Berkeley National Laboratory, Wilton E. Scott Institute for Energy Innovation, Carnegie Mellon University

المصدر: Journal of Chemical Information and Modeling ; volume 63, issue 24, page 7642-7654 ; ISSN 1549-9596 1549-960X

الاتاحة: http://dx.doi.org/10.1021/acs.jcim.3c01226
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01226

المؤلفون: Markovich, Thomas, Blau, Samuel M., Sanders, Jacob N., Aspuru-Guzik, Alan

مصطلحات موضوعية: Physics - Data Analysis, Statistics and Probability, Physics - Chemical Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/1502.06579