Kolb B - Search Results

1

High-Dimensional Atomistic Neural Network Potentials for Molecule-Surface Interactions: HCl Scattering from Au(111).

Kolb B, Luo X, Zhou X, Jiang B, Guo H. Kolb B, et al. J Phys Chem Lett. 2017 Feb 2;8(3):666-672. doi: 10.1021/acs.jpclett.6b02994. Epub 2017 Jan 23. J Phys Chem Lett. 2017. PMID: 28102689

2

Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes.

Kolb B, Marshall P, Zhao B, Jiang B, Guo H. Kolb B, et al. J Phys Chem A. 2017 Apr 6;121(13):2552-2557. doi: 10.1021/acs.jpca.7b01182. Epub 2017 Mar 23. J Phys Chem A. 2017. PMID: 28287725

3

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks.

Kolb B, Zhao B, Li J, Jiang B, Guo H. Kolb B, et al. J Chem Phys. 2016 Jun 14;144(22):224103. doi: 10.1063/1.4953560. J Chem Phys. 2016. PMID: 27305992

4

Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study.

Kolb B, Guo H. Kolb B, et al. J Chem Phys. 2016 Jul 7;145(1):011102. doi: 10.1063/1.4956453. J Chem Phys. 2016. PMID: 27394092

5

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods.

Kolb B, Lentz LC, Kolpak AM. Kolb B, et al. Sci Rep. 2017 Apr 26;7(1):1192. doi: 10.1038/s41598-017-01251-z. Sci Rep. 2017. PMID: 28446748 Free PMC article.

6

Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization.

Lentz LC, Kolb B, Kolpak AM. Lentz LC, et al. Among authors: kolb b. Phys Chem Chem Phys. 2016 May 18;18(20):14122-8. doi: 10.1039/c6cp00994h. Phys Chem Chem Phys. 2016. PMID: 27157509

7

Binding interactions in dimers of phenalenyl and closed-shell analogues.

Kolb B, Kertesz M, Thonhauser T. Kolb B, et al. J Phys Chem A. 2013 May 2;117(17):3642-9. doi: 10.1021/jp3095424. Epub 2013 Apr 22. J Phys Chem A. 2013. PMID: 23544786

8

Structural evolution of amino acid crystals under stress from a non-empirical density functional.

Sabatini R, Küçükbenli E, Kolb B, Thonhauser T, de Gironcoli S. Sabatini R, et al. Among authors: kolb b. J Phys Condens Matter. 2012 Oct 24;24(42):424209. doi: 10.1088/0953-8984/24/42/424209. Epub 2012 Oct 3. J Phys Condens Matter. 2012. PMID: 23032667

9

A 15-Item modification of the PSP rating scale to improve clinical meaningfulness and statistical performance.

Dam T, Yang L, Gillis C, Li Y, O'Gorman J, Kolb B, Boxer AL, Golbe L, Budd Haeberlein S; AL-108-231, PROSPERA, and 4RTNI investigators. Dam T, et al. Among authors: kolb b. Nat Commun. 2025 Jan 6;16(1):414. doi: 10.1038/s41467-024-55442-0. Nat Commun. 2025. PMID: 39762226 Free PMC article.

10

Total Synthesis of Tosyl-Samroiyotmycin A and Its Biological Profiling.

Kolb B, Schmid F, Weng J, Altevogt L, Pereira Rebelo R, Wank B, Baro A, Zens A, Shekhar A, Bilitewski U, Sax S, Wittlin S, Taylor D, Müller R, Laschat S. Kolb B, et al. Chemistry. 2024 Dec 18;30(71):e202403408. doi: 10.1002/chem.202403408. Epub 2024 Nov 12. Chemistry. 2024. PMID: 39348488 Free PMC article.

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