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Articles by Michal Bajdich

Resolution of selectivity steps of CO reduction reaction on copper by quantum Monte Carlo
Today by Roman Fanta and Michal Bajdich at LogoStanford University
Theoretical and Computational Chemistry, Catalysis
Resolution of selectivity steps of CO reduction reaction on copper by quantum Monte Carlo
9 December 2024 by Roman Fanta and Michal Bajdich at LogoStanford University
Theoretical and Computational Chemistry, Catalysis
Coupling Anionic Oxygen Redox with Selenium for Stable High-voltage Sodium Layered Oxide Cathodes
4 October 2024 by Zhichen Xue and others
Theoretical and Computational Chemistry, Materials Science
Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2
29 September 2023 by Hori Pada Sarker and others at LogoCaltech
Catalysis, Energy
FEFOS: A method to derive oxide formation energies from oxidation states
11 January 2023 by Michael Craig and others at LogoTrinity College Dublin
Catalysis, Computational Chemistry and Modeling
Selectivity of Electrochemical Ion Insertion into Manganese Dioxide Polymorphs
29 September 2022 by Evan Zoltan Carlson and others at LogoStanford University
Energy, Materials Chemistry
Investigation of the structure of atomically dispersed NiNx sites in Ni, N-doped carbon electrocatalysts by 61Ni Mössbauer Spectroscopy and Simulations
25 April 2022 by David Koshy and others at LogoStanford University
Catalysis, Theoretical and Computational Chemistry
Origin of Enhanced Water Oxidation Activity in an Iridium Single Atom Catalyst
5 February 2021 by Xueli Zheng and others
Electrocatalysis
Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction
6 May 2020 by Raul Flores and others at LogoStanford University
Machine Learning, Electrocatalysis
From Electricity to Fuels: Descriptors for C1 Selectivity in Electrochemical CO2 Reduction
31 December 2019 by Michael Tang and others
Heterogeneous Catalysis, Electrocatalysis
The Role of Atomic Carbon in Directing Electrochemical CO(2) Reduction to Multicarbon Products
31 December 2019 by Hongjie Peng and others
Electrocatalysis, Heterogeneous Catalysis
Facile Electron Transfer to CO2 during Adsorption at the Metal | Solution Interface
29 October 2019 by Joseph Gauthier and others
Heterogeneous Catalysis, Computational Chemistry and Modeling
Implications of the Fractional Charge of Hydroxide at the Electrochemical Interface
22 August 2019 by Joseph Gauthier and others at LogoStanford University
Heterogeneous Catalysis, Energy Storage
Catalysis-hub.org: An Open Electronic Structure Database for Surface Reactions
19 November 2018 by Kirsten Winther and others
Computational Chemistry and Modeling, Chemoinformatics
Surface Energetics of Alkaline-Earth Metal Oxides: Trends in Stability and Adsorption of Small Molecules
21 March 2015 by Michal Bajdich and others
Materials Science, Other Condensed Matter
Study of dipole moments of LiSr and KRb molecules by quantum Monte Carlo methods
31 December 2013 by Shi Guo and others
Quantum Physics, Atomic Physics
Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo Benchmarks
27 May 2011 by Michal Bajdich and others
Materials Science, Strongly Correlated Electrons
Electronic structure quantum Monte Carlo
13 August 2010 by Michal Bajdich and Lubos Mitas
Other Condensed Matter, Materials Science
Quantum Monte Carlo Calculations of Dihydrogen Binding Energetics on Ca Cations: an Assessment of Errors in Density Functionals for Weakly Bonded Systems
15 July 2010 by Michal Bajdich and others
Materials Science, Chemical Physics
Systematic reduction of sign errors in many-body calculations of atoms and molecules
4 January 2010 by Michal Bajdich and others
Strongly Correlated Electrons, Materials Science
Pfaffian pairing and backflow wave functions for electronic structure quantum Monte Carlo methods
11 February 2008 by M. Bajdich and others
Other Condensed Matter, Strongly Correlated Electrons
Generalized Pairing Wave Functions and Nodal Properties for Electronic Structure Quantum Monte Carlo
18 December 2007 by Michal Bajdich
Other Condensed Matter
QWalk: A Quantum Monte Carlo Program for Electronic Structure
23 October 2007 by Lucas Wagner and others
Computational Physics, Atomic and Molecular Clusters
Pfaffian pairing wave functions in electronic structure quantum Monte Carlo
20 February 2006 by M. Bajdich and others
Other Condensed Matter
Approximate and exact nodes of fermionic wavefunctions: coordinate transformations and topologies
23 May 2005 by Michal Bajdich and others
Other Condensed Matter
Coherent "metallic" resistance and medium localisation in a disordered 1D insulator
19 March 2003 by Martin Moško and others
Mesoscale and Nanoscale Physics, Disordered Systems and Neural Networks