المؤلفون: Menczer, Andor, van Damme, Maarten, Rask, Alan, Huntington, Lee, Hammond, Jeff, Xantheas, Sotiris S., Ganahl, Martin, Legeza, Örs

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Strongly Correlated Electrons, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2407.07411

المؤلفون: Di Felice, Rosa, Mayes, Maricris L, Richard, Ryan M, Williams-Young, David B, Chan, Garnet Kin-Lic, de Jong, Wibe A, Govind, Niranjan, Head-Gordon, Martin, Hermes, Matthew R, Kowalski, Karol, Li, Xiaosong, Lischka, Hans, Mueller, Karl T, Mutlu, Erdal, Niklasson, Anders MN, Pederson, Mark R, Peng, Bo, Shepard, Ron, Valeev, Edward F, van Schilfgaarde, Mark, Vlaisavljevich, Bess, Windus, Theresa L, Xantheas, Sotiris S, Zhang, Xing, Zimmerman, Paul M

المصدر: Journal of Chemical Theory and Computation. 19(20)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry, Bioengineering, Networking and Information Technology R&D (NITRD), 1.4 Methodologies and measurements, CSD-46-All CSGB, Biochemistry and Cell Biology, Computer Software, Chemical Physics, Physical chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9s2099r7
https://escholarship.org/content/qt9s2099r7/qt9s2099r7.pdf

المؤلفون: Santis, Garrett D.¹ (AUTHOR), Xantheas, Sotiris S.^1,2,3 (AUTHOR) sotiris.xantheas@pnnl.gov

المصدر: Journal of Chemical Physics. 1/28/2025, Vol. 162 Issue 4, p1-12. 12p.

المؤلفون: Perko, Joseph R.¹ (AUTHOR) rjperko4@gmail.com, Xantheas, Sotiris S.^1,2,3 (AUTHOR) sotiris.xantheas@pnnl.gov

المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-9. 9p.

مصطلحات موضوعية: *KINETIC theory of gases, *INTERMOLECULAR interactions, *DIFFUSION coefficients, *VISCOSITY, *INTEGRALS, *COLLISION broadening

المؤلفون: Qadeer, Saad, Santis, Garrett D., Stinis, Panos, Xantheas, Sotiris S.

مصطلحات موضوعية: Physics - Chemical Physics, 65L15

URL الوصول: http://arxiv.org/abs/2206.08975

المؤلفون: Mejuto-Zaera, Carlos, Tzeli, Demeter, Williams-Young, David, Tubman, Norm M., Matoušek, Mikuláš, Brabec, Jiri, Veis, Libor, Xantheas, Sotiris S., de Jong, Wibe A.

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Strongly Correlated Electrons

URL الوصول: http://arxiv.org/abs/2105.01754

المؤلفون: Mejuto-Zaera, Carlos, Tzeli, Demeter, Williams-Young, David, Tubman, Norm M, Matoušek, Mikuláš, Brabec, Jiri, Veis, Libor, Xantheas, Sotiris S, de Jong, Wibe A

المصدر: Journal of Chemical Theory and Computation. 18(2)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, physics.chem-ph, cond-mat.str-el, Theoretical and Computational Chemistry, Biochemistry and Cell Biology, Computer Software, Chemical Physics, Physical chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/41n5p08m
https://escholarship.org/content/qt41n5p08m/qt41n5p08m.pdf

المؤلفون: Choudhury, Sutanay, Bilbrey, Jenna A., Ward, Logan, Xantheas, Sotiris S., Foster, Ian, Heindel, Joseph P., Blaiszik, Ben, Schwarting, Marcus E.

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

URL الوصول: http://arxiv.org/abs/2012.00131

المؤلفون: Alexander, Francis J, Ang, James, Bilbrey, Jenna A, Balewski, Jan, Casey, Tiernan, Chard, Ryan, Choi, Jong, Choudhury, Sutanay, Debusschere, Bert, DeGennaro, Anthony M, Dryden, Nikoli, Ellis, J Austin, Foster, Ian, Cardona, Cristina Garcia, Ghosh, Sayan, Harrington, Peter, Huang, Yunzhi, Jha, Shantenu, Johnston, Travis, Kagawa, Ai, Kannan, Ramakrishnan, Kumar, Neeraj, Liu, Zhengchun, Maruyama, Naoya, Matsuoka, Satoshi, McCarthy, Erin, Mohd-Yusof, Jamaludin, Nugent, Peter, Oyama, Yosuke, Proffen, Thomas, Pugmire, David, Rajamanickam, Sivasankaran, Ramakrishniah, Vinay, Schram, Malachi, Seal, Sudip K, Sivaraman, Ganesh, Sweeney, Christine, Tan, Li, Thakur, Rajeev, Van Essen, Brian, Ward, Logan, Welch, Paul, Wolf, Michael, Xantheas, Sotiris S, Yager, Kevin G, Yoo, Shinjae, Yoon, Byung-Jun

المصدر: The International Journal of High Performance Computing Applications. 35(6)

مصطلحات موضوعية: Bioengineering, Affordable and Clean Energy, Machine learning, exascale computing, reinforcement learning, active learning, high-performance computing for machine learning, machine learning for high-performance computing, Distributed Computing

URL الوصول: https://escholarship.org/uc/item/6cx1j7jh

المؤلفون: Tzeli, Demeter, Xantheas, Sotiris S.

المصدر: The Journal of Chemical Physics ; volume 160, issue 5 ; ISSN 0021-9606 1089-7690

الاتاحة: https://doi.org/10.1063/5.0196893
https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0196893/19470450/059901_1_5.0196893.pdf

المؤلفون: Santis, Garrett D., Herman, Kristina M., Heindel, Joseph P., Xantheas, Sotiris S.

المصدر: Journal of Chemical Physics; 2/7/2024, Vol. 160 Issue 5, p1-15, 15p

مصطلحات موضوعية: WATER clusters, PRINCIPAL components analysis, DIHEDRAL angles, HYDROGEN bonding, BOND angles, BISECTORS (Geometry)

المؤلفون: Mukhopadhyay, Anamika, Xantheas, Sotiris S, Saykally, Richard J

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry, Physical Sciences, Technology, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7gf0q642
https://escholarship.org/content/qt7gf0q642/qt7gf0q642.pdf

المؤلفون: Edington, Sean C., Choi, Tae Hoon, Henderson, Elva V., Heindel, Joseph P., Xantheas, Sotiris S., Jordan, Kenneth D., Johnson, Mark A.

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2020 Oct . 117(42), 26047-26052.

URL الوصول: https://www.jstor.org/stable/26970378

المؤلفون: Herman, Kristina M., Xantheas, Sotiris S.

المساهمون: University of Washington

المصدر: Physical Chemistry Chemical Physics ; volume 25, issue 10, page 7120-7143 ; ISSN 1463-9076 1463-9084

الاتاحة: http://dx.doi.org/10.1039/d2cp03241d
http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP03241D

المؤلفون: Hoffman, Maxwell P., Xantheas, Sotiris S.

المصدر: Journal of Physical Chemistry A; 11/21/2024, Vol. 128 Issue 46, p9876-9892, 17p

المؤلفون: Mayer, Martin, van Lessen, Valentin, Rohdenburg, Markus, Hou, Gao-Lei, Yang, Zheng, Exner, Rüdiger M., Aprà, Edoardo, Azov, Vladimir A., Grabowsky, Simon, Xantheas, Sotiris S., Asmis, Knut R., Wang, Xue-Bin, Jenne, Carsten, Warneke, Jonas

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2019 Apr . 116(17), 8167-8172.

URL الوصول: https://www.jstor.org/stable/26703486

المؤلفون: Dunning Jr., Thom H., Gordon, Mark S., Xantheas, Sotiris S.

المصدر: Journal of Chemical Physics; 4/7/2023, Vol. 158 Issue 13, p1-6, 6p

مصطلحات موضوعية: ELECTRON configuration, CHEMICAL bonds, DOMAIN decomposition methods, MOLECULAR orbitals, PHYSICAL & theoretical chemistry

المؤلفون: Moore, Jayven S, Xantheas, Sotiris S, Grate, Jay W, Wietsma, Thomas W, Gratton, Enrico, Vasdekis, Andreas E

المصدر: Journal of Polymer Science Part B Polymer Physics. 54(1)

مصطلحات موضوعية: films, gels, imaging, optics, photophysics, sensors, Physical Sciences, Chemical Sciences, Engineering, Polymers

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8469f87j

المؤلفون: Herman, Kristina M, Stone, Anthony J, Xantheas, Sotiris S

مصطلحات موضوعية: 51 Physical Sciences, 34 Chemical Sciences, 5102 Atomic, Molecular and Optical Physics, 3406 Physical Chemistry

وصف الملف: application/pdf

Relation: https://www.repository.cam.ac.uk/handle/1810/339375

الاتاحة: https://www.repository.cam.ac.uk/handle/1810/339375
https://doi.org/10.17863/CAM.86785

المؤلفون: Okura, Yuika, Santis, Garrett D., Hirata, Keisuke, Xantheas, Sotiris S., Fujii, Masaaki, Ishiuchi, Shun-Ichi

المصدر: Journal of Physical Chemistry Letters; 7/11/2024, Vol. 15 Issue 27, p6966-6973, 8p