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W

Werner Dobrautz

Max Planck Society

15H指数
43论文数
985被引数
收录论文 20
发表时间
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Multireference error mitigation for quantum computation of chemistry多参考态误差缓解技术在量子化学计算中的应用
errDigital Discovery
IF5.6
err2025-07-30
err0
errOAAI
errHang Zou; Erika Magnusson; Hampus Brunander; Werner Dobrautz; Martin Rahm
err分享
err收藏
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method通过互相关方法实现当前量子硬件上的真实化学准确性
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-09
err5
errOAAI
errDobrautz, Werner; Sokolov, Igor O.; Liao, Ke; Rios, Pablo Lopez; Rahm, Martin; Alavi, Ali; Tavernelli, Ivano
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err收藏
Towards efficient quantum computing for quantum chemistry: reducing circuit complexity with transcorrelated and adaptive ansatz techniques迈向量子化学的高效量子计算: 通过互相关和自适应ansatz技术降低电路复杂性
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err3
errOAAI
errMagnusson, Erika; Fitzpatrick, Aaron; Knecht, Stefan; Rahm, Martin; Dobrautz, Werner
err分享
err收藏
Stochastic and low-scaling techniques: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, Ali; Allen, Marcus; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Burton, Hugh G. A.; Chan, Garnet Kin-Lic; Craciunescu, Luca; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Filip, Maria-Andreea; Giner, Emmanuel; Greene-Diniz, Gabriel; Gruneis, Andreas; Guo, Yang; Harsha, Gaurav; Ibrahim, Basil; Kapil, Venkat; Kats, Daniel; Knowles, Peter J.; Lepetit, Marie-Bernadette; Liao, Ke; Li Manni, Giovanni; Loos, Pierre-Francois; Magnusson, Erika; Marie, Antoine; Mejuto-Zaera, Carlos; Neese, Frank; Nejad, Arman; Neufeld, Verena A.; Pernal, Katarzyna; Plasser, Felix; Prentice, Andrew W.; Ravindran, Visagan; Rehman, Umatur; Reiher, Markus; Schilling, Christian; Scuseria, Gustavo; Shee, James; Shi, Benjamin X.; Szenes, Kalman; Tew, David P.; Thom, Alex J. W.; Wang, Zikuan; Zgid, Dominika; Zhu, Andrew; Zwijnenburg, Martijn A.
err分享
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Stochastic and low-scaling techniques/extended systems: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2024-01-01
err0
PREAI
errAlavi, Ali; Atalar, Kemal; Berkelbach, Timothy C.; Booth, George H.; Chen, Ji; Danilov, Don; Dobrautz, Werner; Evangelista, Francesco A.; Harsha, Gaurav; Kapil, Venkat; Liao, Ke; Loos, Pierre-Francois; Nandipati, Krishna Reddy; Plasser, Felix; Prentice, Andrew W.; Reiher, Markus; Rubenstein, Brenda; Shi, Benjamin Xu; Thom, Alex J. W.; Wang, Zikuan; Mejuto-Zaera, Carlos; Zgid, Dominika; Zwijnenburg, Martijn A.
err分享
err收藏
The electron density: a fidelity witness for quantum computation电子密度: 量子计算的保真度见证
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err2
errOAAI
errSkogh, Marten; Dobrautz, Werner; Lolur, Phalgun; Warren, Christopher; Biznarova, Janka; Osman, Amr; Tancredi, Giovanna; Bylander, Jonas; Rahm, Martin
err分享
err收藏
Orders of magnitude increased accuracy for quantum many-body problems on quantum computers via an exact transcorrelated method
errPHYSICAL REVIEW RESEARCH
IF4.2
err2023-06-20
err19
errOAAI
errSokolov, Igor O.; Dobrautz, Werner; Luo, Hongjun; Alavi, Ali; Tavernelli, Ivano
err分享
err收藏
Optimizing Jastrow factors for the transcorrelated method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-08
err12
errOAAI
errHaupt, J. Philip; Hosseini, Seyed Mohammadreza; Rios, Pablo Lopez; Dobrautz, Werner; Cohen, Aron; Alavi, Ali
err分享
err收藏
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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Ferromagnetic domains in the large-U Hubbard model with a few holes: A full configuration interaction quantum Monte Carlo study
errPHYSICAL REVIEW B
IF3.7
err2023-02-07
err4
errOAAI
errYun, Sujun; Dobrautz, Werner; Luo, Hongjun; Katukuri, Vamshi; Liebermann, Niklas; Alavi, Ali
err分享
err收藏
Reference-State Error Mitigation: A Strategy for High Accuracy Quantum Computation of Chemistry参考状态误差缓解: 化学的高精度量子计算策略
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-27
err14
errOAAI
errLolur, Phalgun; Skogh, Marten; Dobrautz, Werner; Warren, Christopher; Biznarova, Janka; Osman, Amr; Tancredi, Giovanna; Wendin, Goran; Bylander, Jonas; Rahm, Martin
err分享
err收藏
Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-06-17
err13
errOAAI
errDobrautz, Werner; Cohen, Aron J.; Alavi, Ali; Giner, Emmanuel
err分享
err收藏
Combined unitary and symmetric group approach applied to low-dimensional Heisenberg spin systems
errPHYSICAL REVIEW B
IF3.7
err2022-05-18
err12
errOAAI
errDobrautz, Werner; Katukuri, Vamshi M.; Bogdanov, Nikolay A.; Kats, Daniel; Li Manni, Giovanni; Alavi, Ali
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err收藏
Benchmark study of Nagaoka ferromagnetism by spin-adapted full configuration interaction quantum Monte Carlo
errPHYSICAL REVIEW B
IF3.7
err2021-12-02
err9
errOAAI
errYun, Sujun; Dobrautz, Werner; Luo, Hongjun; Alavi, Ali
err分享
err收藏
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-01
err33
errOAAI
errDobrautz, Werner; Weser, Oskar; Bogdanov, Nikolay A.; Alavi, Ali; Li Manni, Giovanni
err分享
err收藏
NECI: N-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-16
err74
errOAAI
errGuther, Kai; Anderson, Robert J.; Blunt, Nick S.; Bogdanov, Nikolay A.; Cleland, Deidre; Dattani, Nike; Dobrautz, Werner; Ghanem, Khaldoon; Jeszenszki, Peter; Liebermann, Niklas; Li Manni, Giovanni; Lozovoi, Alexander Y.; Luo, Hongjun; Ma, Dongxia; Merz, Florian; Overy, Catherine; Rampp, Markus; Samanta, Pradipta Kumar; Schwarz, Lauretta R.; Shepherd, James J.; Smart, Simon D.; Vitale, Eugenio; Weser, Oskar; Booth, George H.; Alavi, Ali
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err收藏
Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-02-13
err35
errOAAI
errLi Manni, Giovanni; Dobrautz, Werner; Alavi, Ali
err分享
err收藏
Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach通过图形unit群方法在自旋本征基础上有效地制定全构型相互作用量子蒙特卡洛
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-09-06
err56
errOAAI
errDobrautz, Werner; Smart, Simon D.; Alavi, Ali
err分享
err收藏
Similarity transformation of the electronic Schrodinger equation via Jastrow factorization
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-08-08
err52
errOAAI
errCohen, Aron J.; Luo, Hongjun; Guther, Kai; Dobrautz, Werner; Tew, David P.; Alavi, Ali
err分享
err收藏
Compact numerical solutions to the two-dimensional repulsive Hubbard model obtained via nonunitary similarity transformations
errPHYSICAL REVIEW B
IF3.7
err2019-02-08
err56
errOAAI
errDobrautz, Werner; Luo, Hongjun; Alavi, Ali
err分享
err收藏

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