Search Results - "Bajdich, M"

Edge reactivity and water-assisted dissociation on cobalt oxide nanoislands by Fester, J., García-Melchor, M., Walton, A. S., Bajdich, M., Li, Z., Lammich, L., Vojvodic, A., Lauritsen, J. V.

“…Transition metal oxides show great promise as Earth-abundant catalysts for the oxygen evolution reaction in electrochemical water splitting. However, progress…”
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Pfaffian pairing wave functions in electronic-structure quantum Monte Carlo simulations by Bajdich, M, Mitas, L, Drobný, G, Wagner, L K, Schmidt, K E

“…We investigate the accuracy of trial wave functions for quantum Monte Carlo based on Pfaffian functional form with singlet and triplet pairing. Using a set of…”
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Pfaffian pairing and backflow wavefunctions for electronic structure quantum Monte Carlo methods by Bajdich, M., Mitas, L., Wagner, L. K., Schmidt, K. E.

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Homogeneously dispersed multimetal oxygen-evolving catalysts by Zhang, Bo, Zheng, Xueli, Voznyy, Oleksandr, Comin, Riccardo, Bajdich, Michal, García-Melchor, Max, Han, Lili, Xu, Jixian, Liu, Min, Zheng, Lirong, de Arquer, F. Pelayo García, Dinh, Cao Thang, Fan, Fengjia, Yuan, Mingjian, Yassitepe, Emre, Chen, Ning, Regier, Tom, Liu, Pengfei, Li, Yuhang, De Luna, Phil, Janmohamed, Alyf, Xin, Huolin L., Yang, Huagui, Vojvodic, Aleksandra, Sargent, Edward H.

“…Earth-abundant first-row (3d) transition metal–based catalysts have been developed for the oxygen-evolution reaction (OER); however, they operate at…”
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Importance of Correlation in Determining Electrocatalytic Oxygen Evolution Activity on Cobalt Oxides by García-Mota, Mónica, Bajdich, Michal, Viswanathan, Venkatasubramanian, Vojvodic, Aleksandra, Bell, Alexis T, Nørskov, Jens K

“…Co-based oxides are suitable electrode materials for the electrocatalytic oxygen evolution reaction (OER) with promising activity and stability, in addition to…”
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Approximate and exact nodes of fermionic wavefunctions : Coordinate transformations and topologies by BAJDICH, Michal, MITAS, Lubos, DROBNY, Gabriel, WAGNER, Lucas K

“…A study of fermion nodes for spin-polarized states of a few-electron ions and molecules with s,p,d one-particle orbitals is presented. We find exact nodes for…”
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Coherent "metallic" resistance and medium localization in a disordered one-dimensional insulator by Mosko, Martin, Vagner, Pavel, Bajdich, Michal, Schäpers, Thomas

“…It is believed that a disordered one-dimensional (1D) wire with coherent electronic conduction is an insulator with the mean resistance approximately equal…”
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Pfaffian pairing and backflow wave functions for electronic structure quantum Monte Carlo methods by Bajdich, M, Mitas, L, Wagner, L. K, Schmidt, K. E

“…We investigate pfaffian trial wave functions with singlet and triplet pair orbitals by quantum Monte Carlo methods. We present mathematical identities and the…”
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Pfaffian pairing wave functions in electronic structure quantum Monte Carlo by Bajdich, M, Mitas, L, Drobný, G, Wagner, L. K, Schmidt, K. E

“…Phys.Rev.Lett.96:130201,2006 We investigate the accuracy of trial wave function for quantum Monte Carlo based on pfaffian functional form with singlet and…”
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