المؤلفون: Blum, Volker, Asahi, Ryoji, Autschbach, Jochen, Bannwarth, Christoph, Bihlmayer, Gustav, Blügel, Stefan, Burns, Lori A, Crawford, T Daniel, Dawson, William, de Jong, Wibe Albert, Draxl, Claudia, Filippi, Claudia, Genovese, Luigi, Giannozzi, Paolo, Govind, Niranjan, Hammes-Schiffer, Sharon, Hammond, Jeff R, Hourahine, Benjamin, Jain, Anubhav, Kanai, Yosuke, Kent, Paul RC, Larsen, Ask Hjorth, Lehtola, Susi, Li, Xiaosong, Lindh, Roland, Maeda, Satoshi, Makri, Nancy, Moussa, Jonathan, Nakajima, Takahito, Nash, Jessica A, Oliveira, Micael JT, Patel, Pansy D, Pizzi, Giovanni, Pourtois, Geoffrey, Pritchard, Benjamin P, Rabani, Eran, Reiher, Markus, Reining, Lucia, Ren, Xinguo, Rossi, Mariana, Schlegel, H Bernhard, Seriani, Nicola, Slipchenko, Lyudmila V, Thom, Alexander, Valeev, Edward F, Van Troeye, Benoit, Visscher, Lucas, Vlček, Vojtěch, Werner, Hans-Joachim, Williams-Young, David B, Windus, Theresa L

المصدر: Electronic Structure. 6(4)

مصطلحات موضوعية: Information and Computing Sciences, Software Engineering, electronic structure, software, future directions

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/96k425dv
https://escholarship.org/content/qt96k425dv/qt96k425dv.pdf

المؤلفون: Slattery, Samuel A., Valeev, Edward F.

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2407.09680

المؤلفون: Teke, Nakul, Melekamburath, Ajay, Gaudel, Bimal, Valeev, Edward F.

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2407.08859

المؤلفون: Slattery, Samuel A., Yon, Jaden C., Valeev, Edward F.

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Atomic and Molecular Clusters

URL الوصول: http://arxiv.org/abs/2406.01520

المؤلفون: Asadchev, Andrey, Valeev, Edward F.

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science, Computer Science - Distributed, Parallel, and Cluster Computing, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2405.01834

المؤلفون: Yuwono, Stephen H., Li, Run R., Zhang, Tianyuan, Surjuse, Kshitijkumar A., Valeev, Edward F., Li, Xiaosong, DePrince III, A. Eugene

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2404.13231

المؤلفون: Raje, Saurabh, Xu, Yufan, Rountev, Atanas, Valeev, Edward F., Sadayappan, Saday

مصطلحات موضوعية: Computer Science - Programming Languages, Computer Science - Distributed, Parallel, and Cluster Computing, Computer Science - Performance

URL الوصول: http://arxiv.org/abs/2401.04836

المؤلفون: Asadchev, Andrey, Valeev, Edward F.

مصطلحات موضوعية: Physics - Computational Physics, Computer Science - Computational Engineering, Finance, and Science, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2307.03452

المؤلفون: Slattery, Samuel A., Surjuse, Kshitijkumar, Valeev, Edward F.

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

URL الوصول: http://arxiv.org/abs/2307.00560

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: Windus, Theresa, Banda, Michael, Devereaux, Thomas, White, Julia C, Antypas, Katie, Coffey, Richard, Dart, Eli, Dosanjh, Sudip, Gerber, Richard, Hack, James, Monga, Inder, Papka, Michael E, Riley, Katherine, Rotman, Lauren, Straatsma, Tjerk, Wells, Jack, Baruah, Tunna, Benali, Anouar, Borland, Michael, Brabec, Jiri, Carter, Emily, Ceperley, David, Chan, Maria, Chelikowsky, James, Chen, Jackie, Cheng, Hai-Ping, Clark, Aurora, Darancet, Pierre, DeJong, Wibe, Deslippe, Jack, Dixon, David, Donatelli, Jeffrey, Dunning, Thomas, Fernandez-Serra, Marivi, Freericks, James, Gagliardi, Laura, Galli, Giulia, Garrett, Bruce, Glezakou, Vassiliki-Alexandra, Gordon, Mark, Govind, Niri, Gray, Stephen, Gull, Emanuel, Gygi, Francois, Hexemer, Alexander, Isborn, Christine, Jarrell, Mark, Kalia, Rajiv K, Kent, Paul, Klippenstein, Stephen, Kowalski, Karol, Krishnamurthy, Hulikal, Kumar, Dinesh, Lena, Charles, Li, Xiaosong, Maier, Thomas, Markland, Thomas, McNulty, Ian, Millis, Andrew, Mundy, Chris, Nakano, Aiichiro, Niklasson, AMN, Panagiotopoulos, Thanos, Pandolfi, Ron, Parkinson, Dula, Pask, John, Perazzo, Amedeo, Rehr, John, Rousseau, Roger, Sankaranarayanan, Subramanian, Schenter, Greg, Selloni, Annabella, Sethian, Jamie, Siepmann, Ilja, Slipchenko, Lyudmila, Sternberg, Michael, Stevens, Mark, Summers, Michael, Sumpter, Bobby, Sushko, Peter, Thayer, Jana, Toby, Brian, Tull, Craig, Valeev, Edward, Vashishta, Priya, Venkatakrishnan, V, Yang, C, Yang, Ping, Zwart, Peter H

URL الوصول: https://escholarship.org/uc/item/55z6k627

المؤلفون: Williams-Young, David B., Asadchev, Andrey, Popovici, Doru Thom, Clark, David, Waldrop, Johnathan, Windus, Theresa, Valeev, Edward F., de Jong, Wibe A.

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

URL الوصول: http://arxiv.org/abs/2303.14280

المؤلفون: Williams-Young, David B, Asadchev, Andrey, Popovici, Doru Thom, Clark, David, Waldrop, Jonathan, Windus, Theresa L, Valeev, Edward F, de Jong, Wibe A

المصدر: The Journal of Chemical Physics. 158(23)

مصطلحات موضوعية: Engineering, Chemical Sciences, Physical Sciences, Density Functional Theory, Computer Graphics, Algorithms, Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/5h87r4f5
https://escholarship.org/content/qt5h87r4f5/qt5h87r4f5.pdf

المؤلفون: Masteran, Conner, Kumar, Ashutosh, Teke, Nakul, Gaudel, Bimal, Yanai, Takeshi, Valeev, Edward F.

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2211.09685

المؤلفون: Asadchev, Andrey, Valeev, Edward F.

مصطلحات موضوعية: Physics - Computational Physics, Computer Science - Mathematical Software, Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2210.03192

المؤلفون: Richard, Ryan M, Keipert, Kristopher, Waldrop, Jonathan, Keçeli, Murat, Williams-Young, David, Bair, Raymond, Boschen, Jeffery, Crandall, Zachery, Gasperich, Kevin, Mahmud, Quazi Ishtiaque, Panyala, Ajay, Valeev, Edward, van Dam, Hubertus, de Jong, Wibe A, Windus, Theresa L

المصدر: The Journal of Chemical Physics. 158(18)

مصطلحات موضوعية: Engineering, Chemical Sciences, Physical Sciences, Networking and Information Technology R&D (NITRD), Chemical Physics, Chemical sciences, Physical sciences

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/2xh2j8nc
https://escholarship.org/content/qt2xh2j8nc/qt2xh2j8nc.pdf

المؤلفون: Pierce, Karl, Valeev, Edward F

مصطلحات موضوعية: Physics - Chemical Physics, Mathematics - Numerical Analysis, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2208.09992

المؤلفون: Lee, Seunghoon, Lee, Joonho, Zhai, Huanchen, Tong, Yu, Dalzell, Alexander M., Kumar, Ashutosh, Helms, Phillip, Gray, Johnnie, Cui, Zhi-Hao, Liu, Wenyuan, Kastoryano, Michael, Babbush, Ryan, Preskill, John, Reichman, David R., Campbell, Earl T., Valeev, Edward F., Lin, Lin, Chan, Garnet Kin-Lic

المصدر: Nat Commun 14, 1952 (2023)

مصطلحات موضوعية: Physics - Chemical Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/2208.02199

المؤلفون: Valeev, Edward F., Holmes, Robert J. Harrison. Adam A., Peterson, Charles C., Penchoff, Deborah A.

المصدر: J. Chem. Theory Comput. 19 (2023) 7230-7241

مصطلحات موضوعية: Physics - Chemical Physics, Quantum Physics

URL الوصول: http://arxiv.org/abs/2207.10841

المؤلفون: Lee, Seunghoon, Lee, Joonho, Zhai, Huanchen, Tong, Yu, Dalzell, Alexander M, Kumar, Ashutosh, Helms, Phillip, Gray, Johnnie, Cui, Zhi-Hao, Liu, Wenyuan, Kastoryano, Michael, Babbush, Ryan, Preskill, John, Reichman, David R, Campbell, Earl T, Valeev, Edward F, Lin, Lin, Chan, Garnet Kin-Lic

المصدر: Nature Communications. 14(1)

مصطلحات موضوعية: Quantum Physics, Engineering, Electronics, Sensors and Digital Hardware, Physical Sciences, Atomic, Molecular and Optical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/0fc4x01f
https://escholarship.org/content/qt0fc4x01f/qt0fc4x01f.pdf