Robert A DiStasio

ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 22

Top Venues

Journal of chemical theory and computation

The Journal of chemical physics

Nature chemistry

Chemical science

Cornell University

University of California Berkeley (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Cornell University Jul 01 2015

United States

Assistant Professor :: Chemistry and Chemical Biology

Princeton University Sep 01 2009 - Jun 30 2015

United States

Postdoctoral Research Associate :: Chemistry

Education History

University of California Berkeley

United States

PHD :: Chemistry

Portland State University

United States

BSC :: Chemistry

Publications

Eric G Fuemmeler, Anil Damle, Robert A DiStasio
Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-iterative Orbital Localization Scheme for the Occupied Space. Journal of chemical theory and computation (2023)
Leonardo Medrano Sandonas, Johannes Hoja, Brian G Ernst, Álvaro Vázquez-Mayagoitia, Robert A DiStasio, Alexandre Tkatchenko
"Freedom of design" in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties. Chemical science 14 (39) (2023)
Hsin-Yu Ko, Marcos F Calegari Andrade, Zachary M Sparrow, Ju-An Zhang, Robert A DiStasio
High-Throughput Condensed-Phase Hybrid Density Functional Theory for Large-Scale Finite-Gap Systems: The SeA Approach. Journal of chemical theory and computation (2023)
Yao Yang, Cheyenne R Peltier, Rui Zeng, Roberto Schimmenti, Qihao Li, Xin Huang, Zhifei Yan, Georgia Potsi, Ryan Selhorst, Xinyao Lu, Weixuan Xu, Mariel Tader, Alexander V Soudackov, Hanguang Zhang, Mihail Krumov, Ellen Murray, Pengtao Xu, Jeremy Hitt, Linxi Xu, Hsin-Yu Ko, Brian G Ernst, Colin Bundschu, Aileen Luo, Danielle Markovich, Meixue Hu, Cheng He, Hongsen Wang, Jiye Fang, Robert A DiStasio, Lena F Kourkoutis, Andrej Singer, Kevin J T Noonan, Qihao Li, Lin Zhuang, Bryan S Pivovar, Piotr Zelenay, Enrique Herrero, Juan M Feliu, Jin Suntivich, Emmanuel P Giannelis, Sharon Hammes-Schiffer, Tomás Arias, Manos Mavrikakis, Thomas E Mallouk, Joel D Brock, David A Muller, Francis J DiSalvo, Geoffrey W Coates, Hector D Abruna
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies. Chemical reviews 122 (6) (2022)
Zachary M Sparrow, Brian G Ernst, Trine K Quady, Robert A DiStasio
Uniting Nonempirical and Empirical Density Functional Approximation Strategies Using Constraint-Based Regularization. The journal of physical chemistry letters 13 (30) (2022)
Yao Yang, Yu-Tsun Shao, Xinyao Lu, Yan Yang, Hsin-Yu Ko, Robert A DiStasio, Francis J DiSalvo, David A Muller, Hector D Abruna
Elucidating Cathodic Corrosion Mechanisms with Operando Electrochemical Transmission Electron Microscopy. Journal of the American Chemical Society 144 (34) (2022)
Wei You, Jacob M Ganley, Brian G Ernst, Cheyenne R Peltier, Hsin-Yu Ko, Robert A DiStasio, Robert R Knowles, Geoffrey W Coates
Expeditious synthesis of aromatic-free piperidinium-functionalized polyethylene as alkaline anion exchange membranes. Chemical science 12 (11) (2021)
Zachary M Sparrow, Brian G Ernst, Paul T Joo, Ka Un Lao, Robert A DiStasio
NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts. The Journal of chemical physics 155 (18) (2021)
Johannes Hoja, Leonardo Medrano Sandonas, Brian G Ernst, Alvaro Vazquez-Mayagoitia, Robert A DiStasio, Alexandre Tkatchenko
QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules. Scientific data 8 (1) (2021)
Hsin-Yu Ko, Biswajit Santra, Robert A DiStasio
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric-Isoenthalpic and Isobaric-Isothermal Ensembles. Journal of chemical theory and computation (2021)
Lu Song, Niankai Fu, Brian G Ernst, Wai Hang Lee, Michael O Frederick, Robert A DiStasio, Song Lin
Dual electrocatalysis enables enantioselective hydrocyanation of conjugated alkenes. Nature chemistry 12 (8) (2020)
Aohan Hu, Ivan Keresztes, Samantha N MacMillan, Yang Yang, Erdong Ding, Warren R Zipfel, Robert A DiStasio, John W Babich, Justin J Wilson
Oxyaapa: A Picolinate-Based Ligand with Five Oxygen Donors that Strongly Chelates Lanthanides. Inorganic chemistry 59 (7) (2020)
Brian G Ernst, Ka Un Lao, Andrew G Sullivan, Robert A DiStasio
Attracting Opposites: Promiscuous Ion-π Binding in the Nucleobases. The journal of physical chemistry. A 124 (20) (2020)
Hsin-Yu Ko, Junteng Jia, Biswajit Santra, Xifan Wu, Roberto Car, Robert A DiStasio
Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance. Journal of chemical theory and computation 16 (6) (2020)
Taewon Suh, Yan Yang, Pengyuan Zhao, Ka Un Lao, Hsin-Yu Ko, Jonathan Wong, Robert A DiStasio, James R Engstrom
Competitive Adsorption as a Route to Area-Selective Deposition. ACS applied materials & interfaces 12 (8) (2020)
Yang Yang, Ka Un Lao, David M Wilkins, Andrea Grisafi, Michele Ceriotti, Robert A DiStasio
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases. Scientific data 6 (1) (2019)
Johannes Hoja, Hsin-Yu Ko, Marcus A Neumann, Roberto Car, Robert A DiStasio, Alexandre Tkatchenko
Reliable and practical computational description of molecular crystal polymorphs. Science advances 5 (1) (2019)
Xiaopeng Yu, Junteng Jia, Shu Xu, Ka Un Lao, Maria J Sanford, Ramesh K Ramakrishnan, Sergei I Nazarenko, Thomas R Hoye, Geoffrey W Coates, Robert A DiStasio
Unraveling substituent effects on the glass transition temperatures of biorenewable polyesters. Nature communications 9 (1) (2018)
Ka Un Lao, Junteng Jia, Rahul Maitra, Robert A DiStasio
On the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions. The Journal of chemical physics 149 (20) (2018)
Tristan Bereau, Robert A DiStasio, Alexandre Tkatchenko, O Anatole von Lilienfeld
Non-covalent interactions across organic and biological subsets of chemical space: Physics-based potentials parametrized from machine learning. The Journal of chemical physics 148 (24) (2018)
Saien Xie, Lijie Tu, Yimo Han, Lujie Huang, Kibum Kang, Ka Un Lao, Preeti K Poddar, Chibeom Park, David A Muller, Robert A DiStasio, Jiwoong Park
Coherent, atomically thin transition-metal dichalcogenide superlattices with engineered strain. Science (New York, N.Y.) 359 (6380) (2018)
Mohan Chen, Lixin Zheng, Biswajit Santra, Hsin-Yu Ko, Robert A DiStasio, Michael L Klein, Roberto Car, Xifan Wu
Hydroxide diffuses slower than hydronium in water because its solvated structure inhibits correlated proton transfer. Nature chemistry 10 (4) (2018)

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Publication Activity (10 Years)

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Robert A DiStasio