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Varinia Bernales

University of Toronto

26H-index
77Paper Count
2.9KCitation Count
Published Papers 35
Publication Date
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The rise of generative AI for metal-organic framework design and synthesis
errMatter
IF17.5
err2026-03-30
err0
errOAAI
errChenru Duan; Aditya Nandy; Shyam Chand Pal; Xin Yang; Wenhao Gao; Yuanqi Du; Hendrik Kraß; Yeonghun Kang; Varinia Bernales; Zuyang Ye; Tristan Pyle; Ray Yang; Zeqi Gu; Philippe Schwaller; Shengqian Ma; Shijing Sun; Alán Aspuru-Guzik; Seyed Mohamad Moosavi; Robert Wexler; Zhiling Zheng
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Computer vision for high-throughput materials synthesis: a tutorial for experimentalists
errDigital Discovery
IF5.6
err2025-12-24
err0
errOAAI
errMadeleine A. Gaidimas †; Abhijoy Mandal †; Pan Chen; Shi Xuan Leong; Gyu-Hee Kim; Akshay Talekar; Kent O. Kirlikovali; Kourosh Darvish; Omar K. Farha; Varinia Bernales; Alán Aspuru-Guzik
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The elephant in the lab: synthesizability in generative small-molecule design
errCurrent Opinion in Chemical Engineering
IF6.8
err2025-12-23
err0
errOAAI
errSven M Papidocha; Andreas Burger; Varinia Bernales; Alán Aspuru-Guzik
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Steering towards safe self-driving laboratories
errNature Reviews Chemistry
IF51.7
err2025-08-18
err0
PREAI
errShi Xuan Leong; Caleb E. Griesbach; Rui Zhang; Kourosh Darvish; Yuchi Zhao; Abhijoy Mandal; Yunheng Zou; Han Hao; Varinia Bernales; Alán Aspuru-Guzik
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errSave
Triarylborane-Catalyzed Ring-Opening Polymerization of Propylene Oxide: A Pathway to Superior Polyurethanes
errIndustrial & Engineering Chemistry Research
IF3.9
err2025-08-08
err0
PREAI
errArjun Raghuraman; Heather A. Spinney; David R. Wilson; Carlos Villa; Sukaran Arora; Ankita Majumder; Julibeth M. Martinez De La Hoz; Manjiri Paradkar; Anthony P. Gies; Masayuki Suzuki; An Keaton; Sukrit Mukhopadhyay; Varinia Bernales; Jean-Paul Masy; Robert D. Kennedy
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errSave
High throughput computational and experimental methods for accelerated electrochemical materials discovery
errJ. Mater. Chem. A
IF9.5
err2025-08-01
err0
errOAAI
errUzoma Nwabara; Kunran Yang; Akshay Talekar; Varinia Bernales; Jorge González; Stuart Miller; Jinfeng Wu
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errSave
El Agente: An autonomous agent for quantum chemistry
errMatter
IF17.5
err2025-07-02
err0
PREAI
errYunheng Zou; Austin H. Cheng; Abdulrahman Aldossary; Jiaru Bai; Shi Xuan Leong; Jorge Arturo Campos-Gonzalez-Angulo; Changhyeok Choi; Cher Tian Ser; Gary Tom; Andrew Wang; Zijian Zhang; Ilya Yakavets; Han Hao; Chris Crebolder; Varinia Bernales; Alán Aspuru-Guzik
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errSave
Discovering chemical structure: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAspuru-Guzik, Alan; Bechtel, Tim; Bernales, Varinia; Biggin, Philip C.; Bigi, Filippo; Borges Jr, Itamar; Briling, Ksenia R.; Cheung, Joshua; Collins, Christopher M.; Darmawan, Kevion K.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; George, Janine; Goulding, Mark; Grundy, Joanna; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Juraskova, Veronika; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Lou, Yuchen; Mante, Eltjo; Marsh, Liam; Martin, Jennie; Middleton, Clelia; Nematiaram, Tahereh; Pare, Charles W. P.; Pasca, Bianca; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Savoie, Brett M.; Sun, Wenhao; Szczypinski, Filip T.; Taniguchi, Takuya; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wang, Shirui
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Oxidation of Hydrosilanes to Silanols by Peracetic Acid
errACS SUSTAINABLE CHEMISTRY & ENGINEERING
IF7.3
err2024-01-26
err0
PREAI
errKean, Zachary S.; Bernales, Varinia; Maar, Ryan R.; Roberts, John M.; Courtemanche, Marc-Andre
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errSave
Negative cooperativity upon hydrogen bond-stabilized O2 adsorption in a redox-active metal-organic framework
errNATURE COMMUNICATIONS
IF15.7
err2020-06-18
err49
errOAAI
errOktawiec, Julia; Jiang, Henry Z. H.; Vitillo, Jenny G.; Reed, Douglas A.; Darago, Lucy E.; Trump, Benjamin A.; Bernales, Varinia; Li, Harriet; Colwell, Kristen A.; Furukawa, Hiroyasu; Brown, Craig M.; Gagliardi, Laura; Long, Jeffrey R.
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Enhanced Fe-Centered Redox Flexibility in Fe-Ti Heterobimetallic Complexes
errINORGANIC CHEMISTRY
IF4.7
err2019-04-08
err37
errOAAI
errMoore, James T.; Chatterjee, Sudipta; Tarrago, Maxime; Clouston, Laura J.; Sproules, Stephen; Bill, Eckhard; Bernales, Varinia; Gagliardi, Laura; Ye, Shengfa; Lancaster, Kyle M.; Lu, Connie C.
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errSave
Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenes
errCHEMICAL SCIENCE
IF7.4
err2019-01-01
err75
errOAAI
errSharma, Prachi; Bernales, Varinia; Knecht, Stefan; Truhlar, Donald G.; Gagliardi, Laura
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errSave
Rhodium catalyzed hydroformylation of olefins
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-31
err16
PREAI
errBernales, Varinia; Froese, Robert D.
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Catalytic descriptors and electronic properties of single-site catalysts for ethene dimerization to 1-butene
errCATALYSIS TODAY
IF5.3
err2018-08-01
err21
errOAAI
errPellizzeri, Steven; Barona, Melissa; Bernales, Varinia; Miro, Pere; Liao, Peilin; Gagliardi, Laura; Snurr, Randall Q.; Getman, Rachel B.
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errSave
Can Density Matrix Embedding Theory with the Complete Activate Space Self-Consistent Field Solver Describe Single and Double Bond Breaking in Molecular Systems?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-02-26
err48
errOAAI
errPham, Hung Q.; Bernales, Varinia; Gagliardi, Laura
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errSave
C-H Bond Activation on Bimetallic Two-Atom Co-M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level
errACS CATALYSIS
IF13.1
err2018-02-22
err48
PREAI
errSimons, Matthew C.; Ortuno, Manuel A.; Bernales, Varinia; Gaggioli, Carlo Alberto; Cramer, Christopher J.; Bhan, Aditya; Gagliardi, Laura
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Structure and Dynamics of Zr6O8 Metal-Organic Framework Node Surfaces Probed with Ethanol Dehydration as a Catalytic Test Reaction
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2018-02-20
err185
PREAI
errYang, Dong; Ortuno, Manuel A.; Bernales, Varinia; Cramer, Christopher J.; Gagliardi, Laura; Gates, Bruce C.
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Computational Design of Functionalized Metal-Organic Framework Nodes for Catalysis
errACS CENTRAL SCIENCE
IF10.4
err2017-12-21
err171
errOAAI
errBernales, Varinia; Ortuno, Manuel A.; Truhlar, Donald G.; Cramer, Christopher J.; Gagliardi, Laura
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errSave
Bridging Zirconia Nodes within a Metal-Organic Framework via Catalytic Ni-Hydroxo Clusters to Form Heterobimetallic Nanowires
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2017-07-24
err88
errOAAI
errPlatero-Prats, Ana E.; League, Aaron B.; Bernales, Varinia; Ye, Jingyun; Gallington, Leighanne C.; Vjunov, Aleksei; Schweitzer, Neil M.; Li, Zhanyong; Zheng, Jian; Mehdi, B. Layla; Stevens, Andrew J.; Dohnalkova, Alice; Balasubramanian, Mahalingam; Farha, Omar K.; Hupp, Joseph T.; Browning, Nigel D.; Fulton, John L.; Camaioni, Donald M.; Lercher, Johannes A.; Truhlar, Donald G.; Gagliardi, Laura; Cramer, Christopher J.; Chapman, Karena W.
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Molecular Rhodium Complexes Supported on the Metal-Oxide-Like Nodes of Metal Organic Frameworks and on Zeolite HY: Catalysts for Ethylene Hydrogenation and Dimerization
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2017-05-24
err78
errOAAI
errBernales, Varinia; Yang, Dong; Yu, Jun; Gumuslu, Gamze; Cramer, Christopher J.; Gates, Bruce C.; Gagliardi, Laura
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
O
Omar K. Farha
H-index: 169 · Papers: 1.2K
J
Joseph T. Hupp
H-index: 168 · Papers: 1.1K
J
Jeffrey R. Long
H-index: 148 · Papers: 1.1K
S
Shengqian Ma
H-index: 126 · Papers: 639
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