المؤلفون: Mardirossian, Narbe, Wang, Yuhang, Pearlman, David A., Chan, Garnet Kin-Lic, Shiozaki, Toru

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2004.08725

المؤلفون: Epifanovsky, Evgeny, Gilbert, Andrew TB, Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F, Coons, Marc P, Dempwolff, Adrian L, Gan, Zhengting, Hait, Diptarka, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W, Lao, Ka Un, Levine, Daniel S, Liu, Jie, McKenzie, Simon C, Morrison, Adrian F, Nanda, Kaushik D, Plasser, Felix, Rehn, Dirk R, Vidal, Marta L, You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J, Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H, Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A, Berquist, Eric J, Burton, Hugh GA, Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D, Closser, Kristina D, Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E, Gulania, Sahil, Gunina, Anastasia O, Hanson-Heine, Magnus WD, Harbach, Phillip HP, Hauser, Andreas, Herbst, Michael F, Vera, Mario Hernández, Hodecker, Manuel, Holden, Zachary C, Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C, Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M, Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V, Lefrancois, Daniel, Lehtola, Susi

المصدر: The Journal of Chemical Physics. 155(8)

مصطلحات موضوعية: Physical Sciences, Chemical Sciences, Atomic, Molecular and Optical Physics, Physical Chemistry, Engineering, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8104w62b
https://escholarship.org/content/qt8104w62b/qt8104w62b.pdf

المؤلفون: Sun, Qiming, Zhang, Xing, Banerjee, Samragni, Bao, Peng, Barbry, Marc, Blunt, Nick S., Bogdanov, Nikolay A., Booth, George H., Chen, Jia, Cui, Zhi-Hao, Eriksen, Janus Juul, Gao, Yang, Guo, Sheng, Hermann, Jan, Hermes, Matthew R., Koh, Kevin, Koval, Peter, Lehtola, Susi, Li, Zhendong, Liu, Junzi, Mardirossian, Narbe, McClain, James D., Motta, Mario, Mussard, Bastien, Pham, Hung Q., Pulkin, Artem, Purwanto, Wirawan, Robinson, Paul J., Ronca, Enrico, Sayfutyarova, Elvira, Scheurer, Maximilian, Schurkus, Henry F., Smith, James E. T., Sun, Chong, Sun, Shi-Ning, Upadhyay, Shiv, Wagner, Lucas K., Wang, Xiao, White, Alec, Whitfield, James Daniel, Williamson, Mark J., Wouters, Sebastian, Yang, Jun, Yu, Jason M., Zhu, Tianyu, Berkelbach, Timothy C., Sharma, Sandeep, Sokolov, Alexander, Chan, Garnet Kin-Lic

المصدر: J. Chem. Phys. 153, 024109 (2020)

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2002.12531

المؤلفون: Mardirossian, Narbe, McClain, James D., Chan, Garnet Kin-Lic

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1710.01004

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 148(24)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Physical Sciences, Engineering, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/5f45c8zw
https://escholarship.org/content/qt5f45c8zw/qt5f45c8zw.pdf

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: Molecular Physics. 115(19)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Density functional theory, DFT, benchmark, chemistry database, density functionals, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry (incl. Structural), Theoretical and Computational Chemistry, Chemical Physics, Physical chemistry, Theoretical and computational chemistry

URL الوصول: https://escholarship.org/uc/item/8v56v0c6

المؤلفون: Witte, Jonathon, Mardirossian, Narbe, Neaton, Jeffrey B, Head-Gordon, Martin

المصدر: Journal of Chemical Theory and Computation. 13(5)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, 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/0b59m9kf
https://escholarship.org/content/qt0b59m9kf/qt0b59m9kf.pdf

المؤلفون: Pestana, Luis Ruiz, Mardirossian, Narbe, Head-Gordon, Martin, Head-Gordon, Teresa

المصدر: Chemical Science. 8(5)

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

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/04h7d3m1
https://escholarship.org/content/qt04h7d3m1/qt04h7d3m1.pdf

المؤلفون: Ruiz Pestana, Luis, Mardirossian, Narbe, Head-Gordon, Martin, Head-Gordon, Teresa

المصدر: Chemical science. 8(5)

مصطلحات موضوعية: Chemical Sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/04h7d3m1

المؤلفون: Mardirossian, Narbe, Pestana, Luis Ruiz, Womack, James C, Skylaris, Chris-Kriton, Head-Gordon, Teresa, Head-Gordon, Martin

المصدر: The Journal of Physical Chemistry Letters. 8(1)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Physical Sciences, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/59h848tk
https://escholarship.org/content/qt59h848tk/qt59h848tk.pdf

المؤلفون: Womack, James C, Mardirossian, Narbe, Head-Gordon, Martin, Skylaris, Chris-Kriton

المصدر: The Journal of Chemical Physics. 145(20)

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

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/57p093qn
https://escholarship.org/content/qt57p093qn/qt57p093qn.pdf

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 145(18)

مصطلحات موضوعية: Engineering, Chemical Sciences, Physical Sciences, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7019g8mc
https://escholarship.org/content/qt7019g8mc/qt7019g8mc.pdf

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: Journal of Chemical Theory and Computation. 12(9)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, 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/0h6407dj
https://escholarship.org/content/qt0h6407dj/qt0h6407dj.pdf

المؤلفون: Mao, Yuezhi, Horn, Paul R, Mardirossian, Narbe, Head-Gordon, Teresa, Skylaris, Chris-Kriton, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 145(4)

مصطلحات موضوعية: Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/8nq5s56p

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 144(21)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Physical Sciences, Engineering, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/3q00h6bb
https://escholarship.org/content/qt3q00h6bb/qt3q00h6bb.pdf

المؤلفون: Manzer, Samuel, Horn, Paul R, Mardirossian, Narbe, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 143(2)

مصطلحات موضوعية: Affordable and Clean Energy, Algorithms, Graphite, Hydrogen, Models, Chemical, Time Factors, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/876749gt

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: The Journal of Chemical Physics. 142(7)

مصطلحات موضوعية: Chemical Sciences, Physical Sciences, Engineering, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/55p9q3bg
https://escholarship.org/content/qt55p9q3bg/qt55p9q3bg.pdf

المؤلفون: Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew TB, Wormit, Michael, Kussmann, Joerg, Lange, Adrian W, Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Khaliullin, Rustam Z, Kuś, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I, Rhee, Young Min, Richard, Ryan M, Rohrdanz, Mary A, Steele, Ryan P, Sundstrom, Eric J, Woodcock, H Lee, Zimmerman, Paul M, Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory JO, Bernard, Yves A, Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B, Brown, Shawn T, Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D, Crittenden, Deborah L, Diedenhofen, Michael, DiStasio, Robert A, Do, Hainam, Dutoi, Anthony D, Edgar, Richard G, Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus WD, Harbach, Philipp HP, Hauser, Andreas W, Hohenstein, Edward G, Holden, Zachary C, Jagau, Thomas-C, Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A, Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M, Lao, Ka Un, Laurent, Adèle D, Lawler, Keith V, Levchenko, Sergey V, Lin, Ching Yeh, Liu, Fenglai, Livshits, Ester, Lochan, Rohini C, Luenser, Arne, Manohar, Prashant, Manzer, Samuel F, Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V, Maurer, Simon A, Mayhall, Nicholas J, Neuscamman, Eric, Oana, C Melania, Olivares-Amaya, Roberto, O’Neill, Darragh P, Parkhill, John A, Perrine, Trilisa M, Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R, Rosta, Edina, Russ, Nicholas J, Sharada, Shaama M, Sharma, Sandeep, Small, David W, Sodt, Alexander

المصدر: Molecular Physics. 113(2)

مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry, quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry (incl. Structural), Chemical Physics, Physical chemistry, Theoretical and computational chemistry

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/9wn3w79b
https://escholarship.org/content/qt9wn3w79b/qt9wn3w79b.pdf

المؤلفون: Hauser, Andreas W, Mardirossian, Narbe, Panetier, Julien A, Head‐Gordon, Martin, Bell, Alexis T, Schwerdtfeger, Peter

المصدر: Angewandte Chemie International Edition. 53(37)

مصطلحات موضوعية: Chemical Sciences, Prevention, Computer Simulation, Graphite, Models, Chemical, Models, Molecular, Stereoisomerism, Surface Properties, chiral separation, enantiomers, graphene, racemic mixture, Organic Chemistry, Chemical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/5xm2j1m8
https://escholarship.org/content/qt5xm2j1m8/qt5xm2j1m8.pdf

المؤلفون: Mardirossian, Narbe, Head-Gordon, Martin

المصدر: Physical chemistry chemical physics : PCCP. 16(21)

مصطلحات موضوعية: Chemical Physics, Physical Sciences, Chemical Sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7297t9vf