Authors: Zhao, Heng, Gould, Tim, Vuckovic, Stefan

Relation: Physical Chemistry Chemical Physics; Zhao, H; Gould, T; Vuckovic, S, Deep Mind 21 functional does not extrapolate to transition metal chemistry., Physical Chemistry Chemical Physics, 2024; https://hdl.handle.net/10072/430427

Availability: https://doi.org/10.1039/d4cp00878b
https://hdl.handle.net/10072/430427

Authors: Gould, Tim¹ (AUTHOR) t.gould@griffith.edu.au

Superior Title: Journal of Chemical Physics. 11/28/2023, Vol. 159 Issue 20, p1-10. 10p.

Subject Terms: *DENSITY functional theory, *MEAN field theory, *STRUCTURAL analysis (Engineering), *DENSITY, *ELECTRONIC structure, *FUNCTIONAL analysis

Authors: Zamani Zakaria, Afshin, Jepps, Owen G., Gould, Tim, Anissimov, Yuri G.

Superior Title: In Journal of Pharmaceutical Sciences July 2023 112(7):1939-1946

Authors: Gould, Tim, Kooi, Derk P., Gori-Giorgi, Paola, Pittalis, Stefano

Superior Title: Gould , T , Kooi , D P , Gori-Giorgi , P & Pittalis , S 2023 , ' Electronic Excited States in Extreme Limits via Ensemble Density Functionals ' , Physical review letters , vol. 130 , no. 10 , 106401 , pp. 1-7 . https://doi.org/10.1103/PhysRevLett.130.106401

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Relation: https://research.vu.nl/en/publications/b1d2d31f-b571-494d-9516-12d25607c8cc

Availability: https://doi.org/10.1103/PhysRevLett.130.106401
https://research.vu.nl/en/publications/b1d2d31f-b571-494d-9516-12d25607c8cc
https://hdl.handle.net/1871.1/b1d2d31f-b571-494d-9516-12d25607c8cc
https://research.vu.nl/ws/files/291384602/Electronic_Excited_States_in_Extreme_Limits_via_Ensemble_Density_Functionals.pdf
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Authors: Zhang, Junji, Pagotto, Joshua, Gould, Tim, Duignan, Timothy T.

Subject Terms: Physics - Chemical Physics, Condensed Matter - Disordered Systems and Neural Networks, Condensed Matter - Soft Condensed Matter, Condensed Matter - Statistical Mechanics, Physics - Computational Physics

Relation: http://arxiv.org/abs/2310.12535

Availability: http://arxiv.org/abs/2310.12535

Authors: Gould, Tim, Pittalis, Stefano

Subject Terms: Physics - Chemical Physics

Relation: http://arxiv.org/abs/2306.04023

Availability: http://arxiv.org/abs/2306.04023

Authors: Scott, James M., Dale, Stephen G., McBroom, James, Gould, Tim, Li, Qin

Contributors: Australian Research Council

Superior Title: The Journal of Physical Chemistry A ; volume 128, issue 11, page 2003-2014 ; ISSN 1089-5639 1520-5215

Subject Terms: Physical and Theoretical Chemistry

Availability: https://doi.org/10.1021/acs.jpca.3c07416

Authors: Gould, Tim¹ (AUTHOR) t.gould@griffith.edu.au

Superior Title: Journal of Chemical Physics. 2/14/2023, Vol. 158 Issue 6, p1-15. 15p.

Subject Terms: *DENSITY functional theory, *VIRTUAL networks, *LIBRARY software, *MACHINE learning

Authors: Setayandeh, Samaneh Sadat, Gould, Tim, Vaez, Aminollah, McLennan, Keith, Armanet, Nicolas, Gray, Evan

Superior Title: In Journal of Alloys and Compounds 25 May 2021 864

Authors: Setayandeh, Samaneh Sadat, Gould, Tim, Vaez, Aminollah, Gray, Evan

Superior Title: In International Journal of Hydrogen Energy 1 January 2021 46(1):943-954

Authors: Teale, Andrew M., Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Bálint, Arbuznikov, Alexei V., Ayers, Paul W., Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cancès, Eric, Carter, Emily A., Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John F., Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M.W., Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O., Kaupp, Martin, Köster, Andreas M., Kronik, Leeor, Krylov, Anna I., Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre François, Maitra, Neepa T., Neese, Frank, Perdew, John P., Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R., Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik, Tozer, David J., Trickey, Samuel B., Ullrich, Carsten A., Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A., Xu, Xin, Yang, Weitao

Superior Title: Teale , A M , Helgaker , T , Savin , A , Adamo , C , Aradi , B , Arbuznikov , A V , Ayers , P W , Baerends , E J , Barone , V , Calaminici , P , Cancès , E , Carter , E A , Chattaraj , P K , Chermette , H , Ciofini , I , Crawford , T D , De Proft , F , Dobson , J F , Draxl , C , Frauenheim , T , Fromager , E , Fuentealba , P , Gagliardi , ....

Relation: https://research.vu.nl/en/publications/ac542550-18a0-447c-b01b-e723077bdc29

Availability: https://doi.org/10.1039/d2cp02827a
https://research.vu.nl/en/publications/ac542550-18a0-447c-b01b-e723077bdc29
https://hdl.handle.net/1871.1/ac542550-18a0-447c-b01b-e723077bdc29
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Authors: Li, Meng, Wu, Zhenzhen, Tian, Yuhui, Pan, Feng, Gould, Tim, Zhang, Shanqing

Subject Terms: Electrochemistry, Chemical sciences, Engineering, Physical sciences, Science & Technology, Technology, Materials Science, Multidisciplinary, electrochromic devices

Relation: Advanced Materials Technologies; Li, M; Wu, Z; Tian, Y; Pan, F; Gould, T; Zhang, S, Nanoarchitectonics of Two-Dimensional Electrochromic Materials: Achievements and Future Challenges, Advanced Materials Technologies, 2022, 8 (4), pp. 2200917; http://hdl.handle.net/10072/422035

Availability: https://doi.org/10.1002/admt.202200917
http://hdl.handle.net/10072/422035

Authors: Banafsheh, Mojdeh, Wesolowski, Tomasz A, Gould, Tim, Kronik, Leeor, Strubbe, David A

Superior Title: Physical Review A, vol 106, iss 4

Subject Terms: Atomic, Molecular and Optical Physics, Physical Sciences, Chemical sciences, Mathematical sciences

Relation: qt9tf0f968; https://escholarship.org/uc/item/9tf0f968

Availability: https://escholarship.org/uc/item/9tf0f968

Authors: Setayandeh, Samaneh Sadat, Gould, Tim, Morshedloo, Toktam, Gray, Evan

Subject Terms: Condensed Matter - Materials Science, Physics - Computational Physics

Relation: http://arxiv.org/abs/2208.03048

Availability: http://arxiv.org/abs/2208.03048

Authors: Gould, Tim, Kooi, Derk P., Gori-Giorgi, Paola, Pittalis, Stefano

Subject Terms: Physics - Chemical Physics

Relation: http://arxiv.org/abs/2205.07136

Availability: https://doi.org/10.1103/PhysRevLett.130.106401
http://arxiv.org/abs/2205.07136

Authors: Banafsheh, Mojdeh, Wesolowski, Tomasz A., Gould, Tim, Kronik, Leeor, Strubbe, David A.

Subject Terms: Physics - Chemical Physics

Relation: http://arxiv.org/abs/2207.04160; Phys. Rev. A 106, 042812 (2022)

Availability: https://doi.org/10.1103/PhysRevA.106.042812
http://arxiv.org/abs/2207.04160

Authors: Li, Meng, Wu, Zhenzhen, Zheng, Mengting, Chen, Hao, Gould, Tim, Zhang, Shanqing

Contributors: Australian Government, Government of Western Australia

Superior Title: Advanced Functional Materials ; volume 32, issue 41 ; ISSN 1616-301X 1616-3028

Subject Terms: Electrochemistry, Condensed Matter Physics, Biomaterials, Electronic, Optical and Magnetic Materials

Availability: https://doi.org/10.1002/adfm.202202763

Authors: Garrick, Rachel, Kronik, Leeor, Gould, Tim

Contributors: Australian Research Council

Superior Title: Advanced Theory and Simulations ; volume 5, issue 4 ; ISSN 2513-0390 2513-0390

Subject Terms: Multidisciplinary, Modeling and Simulation, Numerical Analysis, Statistics and Probability

Availability: https://doi.org/10.1002/adts.202100550

Authors: Gould, Tim

Subject Terms: Chemical Physics physics.chem-ph, FOS Physical sciences

Availability: https://doi.org/10.48550/arxiv.2404.12593
https://arxiv.org/abs/2404.12593

Authors: Singh, Amandeep, Eftekhari, Ehsan, Scott, James, Kaur, Jasreet, Yambem, Soniya, Leusch, Frederic, Wellings, Rodney, Gould, Tim, Ostrikov, Kostya, Sonar, Prashant, Li, Qin

Superior Title: In Sustainable Materials and Technologies September 2020 25