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Brian Kolb, Ph.D. - Publications

Affiliations: 
2012 Physics Wake Forest University, Winston-Salem, NC, United States 
Area:
Atomic Physics, Physical Chemistry, Computer Science
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Kolb B, Lentz LC, Kolpak AM. Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods. Scientific Reports. 7: 1192. PMID 28446748 DOI: 10.1038/S41598-017-01251-Z  0.308
2017 Kolb B, Marshall P, Zhao B, Jiang B, Guo H. Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes. The Journal of Physical Chemistry. A. PMID 28287725 DOI: 10.1021/Acs.Jpca.7B01182  0.311
2017 Kolb B, Luo X, Zhou X, Jiang B, Guo H. High-dimensional Atomistic Neural Network Potentials for Molecule-Surface Interactions: HCl Scattering from Au(111). The Journal of Physical Chemistry Letters. PMID 28102689 DOI: 10.1021/Acs.Jpclett.6B02994  0.316
2017 Zhou X, Kolb B, Luo X, Guo H, Jiang B. Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects The Journal of Physical Chemistry C. 121: 5594-5602. DOI: 10.1021/Acs.Jpcc.6B12686  0.319
2016 Kolb B, Guo H. Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study. The Journal of Chemical Physics. 145: 011102. PMID 27394092 DOI: 10.1063/1.4956453  0.309
2013 Kolb B, Kertesz M, Thonhauser T. Binding interactions in dimers of phenalenyl and closed-shell analogues. The Journal of Physical Chemistry. A. 117: 3642-9. PMID 23544786 DOI: 10.1021/Jp3095424  0.331
2012 Sabatini R, Küçükbenli E, Kolb B, Thonhauser T, de Gironcoli S. Structural evolution of amino acid crystals under stress from a non-empirical density functional. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 424209. PMID 23032667 DOI: 10.1088/0953-8984/24/42/424209  0.309
2012 Kolb B, Thonhauser T. Molecular Biology At The Quantum Level: Can Modern Density Functional Theory Forge The Path? Arxiv: Biological Physics. 2: 1230006. DOI: 10.1142/S1793984412300063  0.306
2012 Lee K, Kolb B, Thonhauser T, Vanderbilt D, Langreth DC. Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.104102  0.312
2011 Kolb B, Thonhauser T. Van der Waals density functional study of energetic, structural, and vibrational properties of small water clusters and ice Ih Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.045116  0.318
2011 Bil A, Kolb B, Atkinson R, Pettifor DG, Thonhauser T, Kolmogorov AN. Van der Waals interactions in the ground state of Mg(BH4) 2 from density functional theory Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.224103  0.313
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