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Items: 1 to 50 of 501

1.

Chemically-resolved determination of hydrogenated graphene-substrate interaction.

Jørgensen AL, Duncan DA, Kastorp CFP, Kyhl L, Tang Z, Bruix A, Andersen M, Hammer B, Lee TL, Hornekær L, Balog R.

Phys Chem Chem Phys. 2019 Jun 26;21(25):13462-13466. doi: 10.1039/c9cp02059d.

PMID:
31187827
2.

Counteracting Electrode Shifts in Upper-Limb Prosthesis Control via Transfer Learning.

Prahm C, Schulz A, Paaben B, Schoisswohl J, Kaniusas E, Dorffner G, Hammer B, Aszmann O.

IEEE Trans Neural Syst Rehabil Eng. 2019 May;27(5):956-962. doi: 10.1109/TNSRE.2019.2907200. Epub 2019 Mar 25.

PMID:
30908234
3.

Water Dissociation and Hydroxyl Ordering on Anatase TiO_{2}(001)-(1×4).

Beinik I, Bruix A, Li Z, Adamsen KC, Koust S, Hammer B, Wendt S, Lauritsen JV.

Phys Rev Lett. 2018 Nov 16;121(20):206003. doi: 10.1103/PhysRevLett.121.206003.

PMID:
30500259
4.

An extended chiral surface coordination network based on Ag7-clusters.

Svane KL, Baviloliaei MS, Hammer B, Diekhöner L.

J Chem Phys. 2018 Oct 28;149(16):164710. doi: 10.1063/1.5051510.

PMID:
30384711
5.

Expanding the limits of synthetic macromolecular chemistry through Polyphenylene Dendrimers.

Hammer BAG, Müllen K.

J Nanopart Res. 2018;20(10):262. doi: 10.1007/s11051-018-4364-6. Epub 2018 Sep 25.

6.

Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies.

Meldgaard SA, Kolsbjerg EL, Hammer B.

J Chem Phys. 2018 Oct 7;149(13):134104. doi: 10.1063/1.5048290.

PMID:
30292199
7.

In utero exposure to cigarette smoke and effects across generations: A conference of animals on asthma.

Hammer B, Wagner C, Divac Rankov A, Reuter S, Bartel S, Hylkema MN, Krüger A, Svanes C, Krauss-Etschmann S.

Clin Exp Allergy. 2018 Nov;48(11):1378-1390. doi: 10.1111/cea.13283. Review.

PMID:
30244507
8.

Synthesis of Zwitterionic Pluronic Analogs.

Skinner M, Johnston BM, Liu Y, Hammer B, Selhorst R, Xenidou I, Perry SL, Emrick T.

Biomacromolecules. 2018 Aug 13;19(8):3377-3389. doi: 10.1021/acs.biomac.8b00676. Epub 2018 Jul 19.

PMID:
30024744
9.

Accelerating atomic structure search with cluster regularization.

Sørensen KH, Jørgensen MS, Bruix A, Hammer B.

J Chem Phys. 2018 Jun 28;148(24):241734. doi: 10.1063/1.5023671.

PMID:
29960341
10.

Visualizing hydrogen-induced reshaping and edge activation in MoS2 and Co-promoted MoS2 catalyst clusters.

Grønborg SS, Salazar N, Bruix A, Rodríguez-Fernández J, Thomsen SD, Hammer B, Lauritsen JV.

Nat Commun. 2018 Jun 7;9(1):2211. doi: 10.1038/s41467-018-04615-9.

11.

Atomic Energies from a Convolutional Neural Network.

Chen X, Jørgensen MS, Li J, Hammer B.

J Chem Theory Comput. 2018 Jul 10;14(7):3933-3942. doi: 10.1021/acs.jctc.8b00149. Epub 2018 Jun 13.

PMID:
29812930
12.

The State of the Union Is Strong: a Review of ASM's 6th Conference on Cell-Cell Communication in Bacteria.

Brown SP, Blackwell HE, Hammer BK.

J Bacteriol. 2018 Jun 25;200(14). pii: e00291-18. doi: 10.1128/JB.00291-18. Print 2018 Jul 15. Review.

13.

The Vibrio cholerae type VI secretion system can modulate host intestinal mechanics to displace gut bacterial symbionts.

Logan SL, Thomas J, Yan J, Baker RP, Shields DS, Xavier JB, Hammer BK, Parthasarathy R.

Proc Natl Acad Sci U S A. 2018 Apr 17;115(16):E3779-E3787. doi: 10.1073/pnas.1720133115. Epub 2018 Apr 2.

14.

NH3 adsorption on anatase-TiO2(101).

Koust S, Adamsen KC, Kolsbjerg EL, Li Z, Hammer B, Wendt S, Lauritsen JV.

J Chem Phys. 2018 Mar 28;148(12):124704. doi: 10.1063/1.5021407.

PMID:
29604858
15.

Rotation and diffusion of naphthalene on Pt(111).

Kolsbjerg EL, Goubert G, McBreen PH, Hammer B.

J Chem Phys. 2018 Mar 28;148(12):124703. doi: 10.1063/1.5017581.

PMID:
29604848
16.

Tight-Binding Approximation-Enhanced Global Optimization.

Van den Bossche M, Grönbeck H, Hammer B.

J Chem Theory Comput. 2018 May 8;14(5):2797-2807. doi: 10.1021/acs.jctc.8b00039. Epub 2018 Apr 10.

PMID:
29589928
17.

flowLearn: fast and precise identification and quality checking of cell populations in flow cytometry.

Lux M, Brinkman RR, Chauve C, Laing A, Lorenc A, Abeler-Dörner L, Hammer B.

Bioinformatics. 2018 Jul 1;34(13):2245-2253. doi: 10.1093/bioinformatics/bty082.

18.

On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization.

Jacobsen TL, Jørgensen MS, Hammer B.

Phys Rev Lett. 2018 Jan 12;120(2):026102. doi: 10.1103/PhysRevLett.120.026102.

PMID:
29376690
19.

Immotile Active Matter: Activity from Death and Reproduction.

Kalziqi A, Yanni D, Thomas J, Ng SL, Vivek S, Hammer BK, Yunker PJ.

Phys Rev Lett. 2018 Jan 5;120(1):018101. doi: 10.1103/PhysRevLett.120.018101.

PMID:
29350941
20.

Erratum: "An automated nudged elastic band method" [J. Chem. Phys. 145, 094107 (2016)].

Kolsbjerg EL, Groves MN, Hammer B.

J Chem Phys. 2018 Jan 14;148(2):029903. doi: 10.1063/1.5021153. No abstract available.

PMID:
29331140
21.

Exploration versus Exploitation in Global Atomistic Structure Optimization.

Jørgensen MS, Larsen UF, Jacobsen KW, Hammer B.

J Phys Chem A. 2018 Feb 8;122(5):1504-1509. doi: 10.1021/acs.jpca.8b00160. Epub 2018 Jan 29.

PMID:
29314842
22.

Exciting H2 Molecules for Graphene Functionalization.

Kyhl L, Bisson R, Balog R, Groves MN, Kolsbjerg EL, Cassidy AM, Jørgensen JH, Halkjær S, Miwa JA, Grubišić Čabo A, Angot T, Hofmann P, Arman MA, Urpelainen S, Lacovig P, Bignardi L, Bluhm H, Knudsen J, Hammer B, Hornekaer L.

ACS Nano. 2018 Jan 23;12(1):513-520. doi: 10.1021/acsnano.7b07079. Epub 2018 Jan 5.

PMID:
29253339
23.

Influence of CH···N Interaction in the Self-Assembly of an Oligo(isoquinolyne-ethynylyne) Molecule with Distinct Conformational States.

Nuermaimaiti A, Ning Y, Cramer JL, Svane KL, Hammer B, Gothelf KV, Linderoth TR.

Langmuir. 2017 Oct 17;33(41):10782-10791. doi: 10.1021/acs.langmuir.7b02207. Epub 2017 Oct 2.

PMID:
28968110
24.

Structure of the SnO_{2}(110)-(4×1) Surface.

Merte LR, Jørgensen MS, Pussi K, Gustafson J, Shipilin M, Schaefer A, Zhang C, Rawle J, Nicklin C, Thornton G, Lindsay R, Hammer B, Lundgren E.

Phys Rev Lett. 2017 Sep 1;119(9):096102. doi: 10.1103/PhysRevLett.119.096102. Epub 2017 Aug 31.

PMID:
28949575
25.

Porous monolith microfluidics for bacterial cell-to-cell communication assays.

Austin CM, Caro DM, Sankar S, Penniman WF, Perdomo JE, Hu L, Patel S, Gu X, Watve S, Hammer BK, Forest CR.

Biomicrofluidics. 2017 Jul 31;11(4):044110. doi: 10.1063/1.4995597. eCollection 2017 Jul.

26.

Supramolecular Corrals on Surfaces Resulting from Aromatic Interactions of Nonplanar Triazoles.

Jethwa SJ, Kolsbjerg EL, Vadapoo SR, Cramer JL, Lammich L, Gothelf KV, Hammer B, Linderoth TR.

ACS Nano. 2017 Aug 22;11(8):8302-8310. doi: 10.1021/acsnano.7b03484. Epub 2017 Aug 1.

PMID:
28762721
27.

Horizontal Gene Transfer of Functional Type VI Killing Genes by Natural Transformation.

Thomas J, Watve SS, Ratcliff WC, Hammer BK.

MBio. 2017 Jul 25;8(4). pii: e00654-17. doi: 10.1128/mBio.00654-17.

28.

Monitoring interconversion between stereochemical states in single chirality-transfer complexes on a platinum surface.

Goubert G, Dong Y, Groves MN, Lemay JC, Hammer B, McBreen PH.

Nat Chem. 2017 Jun;9(6):531-536. doi: 10.1038/nchem.2753. Epub 2017 Apr 3.

PMID:
28537600
29.

Structure and Dynamics of Individual Diastereomeric Complexes on Platinum: Surface Studies Related to Heterogeneous Enantioselective Catalysis.

Dong Y, Goubert G, Groves MN, Lemay JC, Hammer B, McBreen PH.

Acc Chem Res. 2017 May 16;50(5):1163-1170. doi: 10.1021/acs.accounts.6b00516. Epub 2017 Apr 18.

PMID:
28418642
30.

Methylene blue for postcardiopulmonary bypass vasoplegic syndrome: A cohort study.

Mazzeffi M, Hammer B, Chen E, Caridi-Scheible M, Ramsay J, Paciullo C.

Ann Card Anaesth. 2017 Apr-Jun;20(2):178-181. doi: 10.4103/aca.ACA_237_16.

31.

The atomic simulation environment-a Python library for working with atoms.

Hjorth Larsen A, Jørgen Mortensen J, Blomqvist J, Castelli IE, Christensen R, Dułak M, Friis J, Groves MN, Hammer B, Hargus C, Hermes ED, Jennings PC, Bjerre Jensen P, Kermode J, Kitchin JR, Leonhard Kolsbjerg E, Kubal J, Kaasbjerg K, Lysgaard S, Bergmann Maronsson J, Maxson T, Olsen T, Pastewka L, Peterson A, Rostgaard C, Schiøtz J, Schütt O, Strange M, Thygesen KS, Vegge T, Vilhelmsen L, Walter M, Zeng Z, Jacobsen KW.

J Phys Condens Matter. 2017 Jul 12;29(27):273002. doi: 10.1088/1361-648X/aa680e. Epub 2017 Mar 21.

PMID:
28323250
32.

Controlling Cellular Uptake and Toxicity of Polyphenylene Dendrimers by Chemical Functionalization.

Hammer BAG, Wu Y, Fischer S, Liu W, Weil T, Müllen K.

Chembiochem. 2017 May 18;18(10):960-964. doi: 10.1002/cbic.201700079. Epub 2017 Mar 28.

PMID:
28224731
33.

Combining Evolutionary Algorithms with Clustering toward Rational Global Structure Optimization at the Atomic Scale.

Jørgensen MS, Groves MN, Hammer B.

J Chem Theory Comput. 2017 Mar 14;13(3):1486-1493. doi: 10.1021/acs.jctc.6b01119. Epub 2017 Feb 22.

PMID:
28186745
34.

Killing by Type VI secretion drives genetic phase separation and correlates with increased cooperation.

McNally L, Bernardy E, Thomas J, Kalziqi A, Pentz J, Brown SP, Hammer BK, Yunker PJ, Ratcliff WC.

Nat Commun. 2017 Feb 6;8:14371. doi: 10.1038/ncomms14371.

35.

Quantifying Economic Dependency.

Loichinger E, Hammer B, Prskawetz A, Freiberger M, Sambt J.

Eur J Popul. 2017 Jan 27;33(3):351-380. doi: 10.1007/s10680-016-9405-1. eCollection 2017 Jul.

36.

Symmetry-Driven Band Gap Engineering in Hydrogen Functionalized Graphene.

Jørgensen JH, Čabo AG, Balog R, Kyhl L, Groves MN, Cassidy AM, Bruix A, Bianchi M, Dendzik M, Arman MA, Lammich L, Pascual JI, Knudsen J, Hammer B, Hofmann P, Hornekaer L.

ACS Nano. 2016 Dec 27;10(12):10798-10807. doi: 10.1021/acsnano.6b04671. Epub 2016 Nov 17.

PMID:
28024374
37.

Whole-Genome Sequences of 26 Vibrio cholerae Isolates.

Watve SS, Chande AT, Rishishwar L, Mariño-Ramírez L, Jordan IK, Hammer BK.

Genome Announc. 2016 Dec 22;4(6). pii: e01396-16. doi: 10.1128/genomeA.01396-16.

38.

acdc - Automated Contamination Detection and Confidence estimation for single-cell genome data.

Lux M, Krüger J, Rinke C, Maus I, Schlüter A, Woyke T, Sczyrba A, Hammer B.

BMC Bioinformatics. 2016 Dec 20;17(1):543. doi: 10.1186/s12859-016-1397-7.

39.

Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers.

Nuermaimaiti A, S-Falk V, Cramer JL, Svane KL, Hammer B, Gothelf KV, Linderoth TR.

Chem Commun (Camb). 2016 Nov 29;52(97):14023-14026.

PMID:
27853758
40.

The influence of coronene super-hydrogenation on the coronene-graphite interaction.

Skov AW, Andersen M, Thrower JD, Jørgensen B, Hammer B, Hornekær L.

J Chem Phys. 2016 Nov 7;145(17):174708.

PMID:
27825229
41.

An automated nudged elastic band method.

Kolsbjerg EL, Groves MN, Hammer B.

J Chem Phys. 2016 Sep 7;145(9):094107. doi: 10.1063/1.4961868. Erratum in: J Chem Phys. 2018 Jan 14;148(2):029903.

PMID:
27608989
42.

Appropriate Use of Vancomycin in NICU Despite Free-for-All Policy.

Hammer BM, Lardieri AB, Morgan JA.

J Pediatr Pharmacol Ther. 2016 May-Jun;21(3):207-12. doi: 10.5863/1551-6776-21.3.207.

43.

Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory.

Kolsbjerg EL, Groves MN, Hammer B.

J Chem Phys. 2016 Apr 28;144(16):164112. doi: 10.1063/1.4947225.

PMID:
27131536
44.

Effects of particle size and edge structure on the electronic structure, spectroscopic features, and chemical properties of Au(111)-supported MoS2 nanoparticles.

Bruix A, Lauritsen JV, Hammer B.

Faraday Discuss. 2016 Jul 4;188:323-43. doi: 10.1039/c5fd00203f. Epub 2016 Apr 14.

PMID:
27076269
45.

Diversity of Clinical and Environmental Isolates of Vibrio cholerae in Natural Transformation and Contact-Dependent Bacterial Killing Indicative of Type VI Secretion System Activity.

Bernardy EE, Turnsek MA, Wilson SK, Tarr CL, Hammer BK.

Appl Environ Microbiol. 2016 Apr 18;82(9):2833-2842. doi: 10.1128/AEM.00351-16. Print 2016 May.

46.

Structure and role of metal clusters in a metal-organic coordination network determined by density functional theory.

Svane KL, Linderoth TR, Hammer B.

J Chem Phys. 2016 Feb 28;144(8):084708. doi: 10.1063/1.4942665.

PMID:
26931719
47.

Unravelling Site-Specific Photo-Reactions of Ethanol on Rutile TiO2(110).

Hansen JØ, Bebensee R, Martinez U, Porsgaard S, Lira E, Wei Y, Lammich L, Li Z, Idriss H, Besenbacher F, Hammer B, Wendt S.

Sci Rep. 2016 Feb 26;6:21990. doi: 10.1038/srep21990.

48.

Prototype-based models in machine learning.

Biehl M, Hammer B, Villmann T.

Wiley Interdiscip Rev Cogn Sci. 2016 Mar-Apr;7(2):92-111. doi: 10.1002/wcs.1378. Epub 2016 Jan 21. Review.

PMID:
26800334
49.

Dimensional Evolution of Polyphenylenes: Expanding in All Directions.

Hammer BA, Müllen K.

Chem Rev. 2016 Feb 24;116(4):2103-40. doi: 10.1021/acs.chemrev.5b00515. Epub 2015 Dec 10.

PMID:
26654275
50.

CytR Is a Global Positive Regulator of Competence, Type VI Secretion, and Chitinases in Vibrio cholerae.

Watve SS, Thomas J, Hammer BK.

PLoS One. 2015 Sep 24;10(9):e0138834. doi: 10.1371/journal.pone.0138834. eCollection 2015.

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