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Items: 1 to 50 of 59

1.

Strong bonds and far-from-equilibrium conditions minimize errors in lattice-gas growth.

Whitelam S.

J Chem Phys. 2018 Sep 14;149(10):104902. doi: 10.1063/1.5034789.

PMID:
30219000
2.

Design Rules for Self-Assembly of 2D Nanocrystal/Metal-Organic Framework Superstructures.

Qiu F, Edison JR, Preisler Z, Zhang YF, Li G, Pan A, Hsu CH, Mattox TM, Ercius P, Song C, Bustillo K, Brady MA, Zaia EW, Jeong S, Neaton JB, Du S, Whitelam S, Urban JJ.

Angew Chem Int Ed Engl. 2018 Oct 1;57(40):13172-13176. doi: 10.1002/anie.201807776. Epub 2018 Sep 11.

3.

Cooperative Gas Adsorption without a Phase Transition in Metal-Organic Frameworks.

Kundu J, Stilck JF, Lee JH, Neaton JB, Prendergast D, Whitelam S.

Phys Rev Lett. 2018 Jul 6;121(1):015701. doi: 10.1103/PhysRevLett.121.015701.

PMID:
30028153
4.

Large deviations in the presence of cooperativity and slow dynamics.

Whitelam S.

Phys Rev E. 2018 Jun;97(6-1):062109. doi: 10.1103/PhysRevE.97.062109.

PMID:
30011565
5.

Rare behavior of growth processes via umbrella sampling of trajectories.

Klymko K, Geissler PL, Garrahan JP, Whitelam S.

Phys Rev E. 2018 Mar;97(3-1):032123. doi: 10.1103/PhysRevE.97.032123.

PMID:
29776178
6.

Sampling rare fluctuations of discrete-time Markov chains.

Whitelam S.

Phys Rev E. 2018 Mar;97(3-1):032122. doi: 10.1103/PhysRevE.97.032122.

PMID:
29776177
7.

Conformations of peptoids in nanosheets result from the interplay of backbone energetics and intermolecular interactions.

Edison JR, Spencer RK, Butterfoss GL, Hudson BC, Hochbaum AI, Paravastu AK, Zuckermann RN, Whitelam S.

Proc Natl Acad Sci U S A. 2018 May 29;115(22):5647-5651. doi: 10.1073/pnas.1800397115. Epub 2018 May 14.

8.

Phase separation and large deviations of lattice active matter.

Whitelam S, Klymko K, Mandal D.

J Chem Phys. 2018 Apr 21;148(15):154902. doi: 10.1063/1.5023403.

9.

Evidence for cis Amide Bonds in Peptoid Nanosheets.

Hudson BC, Battigelli A, Connolly MD, Edison J, Spencer RK, Whitelam S, Zuckermann RN, Paravastu AK.

J Phys Chem Lett. 2018 May 17;9(10):2574-2578. doi: 10.1021/acs.jpclett.8b01040. Epub 2018 May 2.

10.

Similarity of ensembles of trajectories of reversible and irreversible growth processes.

Klymko K, Garrahan JP, Whitelam S.

Phys Rev E. 2017 Oct;96(4-1):042126. doi: 10.1103/PhysRevE.96.042126. Epub 2017 Oct 13.

PMID:
29347518
11.

Irregular model DNA particles self-assemble into a regular structure.

Preisler Z, Saccà B, Whitelam S.

Soft Matter. 2017 Dec 6;13(47):8894-8902. doi: 10.1039/c7sm01627a.

PMID:
29130094
12.

Minimal Positive Design for Self-Assembly of the Archimedean Tilings.

Whitelam S.

Phys Rev Lett. 2016 Nov 25;117(22):228003. Epub 2016 Nov 23.

PMID:
27925733
13.

Microscopic origin and macroscopic implications of lane formation in mixtures of oppositely driven particles.

Klymko K, Geissler PL, Whitelam S.

Phys Rev E. 2016 Aug;94(2-1):022608. doi: 10.1103/PhysRevE.94.022608. Epub 2016 Aug 19.

PMID:
27627361
14.

The Ramachandran Number: An Order Parameter for Protein Geometry.

Mannige RV, Kundu J, Whitelam S.

PLoS One. 2016 Aug 4;11(8):e0160023. doi: 10.1371/journal.pone.0160023. eCollection 2016.

15.

Selective gas capture via kinetic trapping.

Kundu J, Pascal T, Prendergast D, Whitelam S.

Phys Chem Chem Phys. 2016 Aug 21;18(31):21760-6. doi: 10.1039/c6cp03940e. Epub 2016 Jul 20.

16.

Predicting the outcome of the growth of binary solids far from equilibrium.

Mannige RV, Whitelam S.

Phys Rev E. 2016 Apr;93:042136. doi: 10.1103/PhysRevE.93.042136. Epub 2016 Apr 27.

PMID:
27176283
17.

Minimal physical requirements for crystal growth self-poisoning.

Whitelam S, Dahal YR, Schmit JD.

J Chem Phys. 2016 Feb 14;144(6):064903. doi: 10.1063/1.4941457.

18.

Design, Synthesis, Assembly, and Engineering of Peptoid Nanosheets.

Robertson EJ, Battigelli A, Proulx C, Mannige RV, Haxton TK, Yun L, Whitelam S, Zuckermann RN.

Acc Chem Res. 2016 Mar 15;49(3):379-89. doi: 10.1021/acs.accounts.5b00439. Epub 2016 Jan 7.

PMID:
26741294
19.

Implicit-Solvent Coarse-Grained Simulation with a Fluctuating Interface Reveals a Molecular Mechanism for Peptoid Monolayer Buckling.

Haxton TK, Zuckermann RN, Whitelam S.

J Chem Theory Comput. 2016 Jan 12;12(1):345-52. doi: 10.1021/acs.jctc.5b00910. Epub 2015 Dec 22.

PMID:
26647143
20.

Modeling sequence-specific polymers using anisotropic coarse-grained sites allows quantitative comparison with experiment.

Haxton TK, Mannige RV, Zuckermann RN, Whitelam S.

J Chem Theory Comput. 2015 Jan 13;11(1):303-15. doi: 10.1021/ct5010559.

PMID:
26574228
21.

Peptoid nanosheets exhibit a new secondary-structure motif.

Mannige RV, Haxton TK, Proulx C, Robertson EJ, Battigelli A, Butterfoss GL, Zuckermann RN, Whitelam S.

Nature. 2015 Oct 15;526(7573):415-20. doi: 10.1038/nature15363. Epub 2015 Oct 7.

PMID:
26444241
22.

Crystallization and arrest mechanisms of model colloids.

Haxton TK, Hedges LO, Whitelam S.

Soft Matter. 2015 Dec 28;11(48):9307-20. doi: 10.1039/c5sm01833a.

PMID:
26428696
23.

Hierarchical assembly may be a way to make large information-rich structures.

Whitelam S.

Soft Matter. 2015 Nov 14;11(42):8225-35. doi: 10.1039/c5sm01375e.

PMID:
26350267
24.

Revealing Optical Properties of Reduced-Dimensionality Materials at Relevant Length Scales.

Ogletree DF, Schuck PJ, Weber-Bargioni AF, Borys NJ, Aloni S, Bao W, Barja S, Lee J, Melli M, Munechika K, Whitelam S, Wickenburg S.

Adv Mater. 2015 Oct 14;27(38):5693-719. doi: 10.1002/adma.201500930. Epub 2015 Aug 31.

PMID:
26332202
25.

CRYSTAL GROWTH. Crystallization by particle attachment in synthetic, biogenic, and geologic environments.

De Yoreo JJ, Gilbert PU, Sommerdijk NA, Penn RL, Whitelam S, Joester D, Zhang H, Rimer JD, Navrotsky A, Banfield JF, Wallace AF, Michel FM, Meldrum FC, Cölfen H, Dove PM.

Science. 2015 Jul 31;349(6247):aaa6760. doi: 10.1126/science.aaa6760. Review.

26.

Heterogeneity of functional groups in a metal-organic framework displays magic number ratios.

Sue AC, Mannige RV, Deng H, Cao D, Wang C, Gándara F, Stoddart JF, Whitelam S, Yaghi OM.

Proc Natl Acad Sci U S A. 2015 May 5;112(18):5591-6. doi: 10.1073/pnas.1416417112. Epub 2015 Apr 21.

27.

Examples of Molecular Self-Assembly at Surfaces.

Whitelam S.

Adv Mater. 2015 Oct 14;27(38):5720-5. doi: 10.1002/adma.201405573. Epub 2015 Apr 14.

PMID:
25873520
28.

Emergent rhombus tilings from molecular interactions with M-fold rotational symmetry.

Whitelam S, Tamblyn I, Garrahan JP, Beton PH.

Phys Rev Lett. 2015 Mar 20;114(11):115702. Epub 2015 Mar 20.

PMID:
25839291
29.

Ion-specific control of the self-assembly dynamics of a nanostructured protein lattice.

Rad B, Haxton TK, Shon A, Shin SH, Whitelam S, Ajo-Franklin CM.

ACS Nano. 2015 Jan 27;9(1):180-90. doi: 10.1021/nn502992x. Epub 2014 Dec 17.

30.

The statistical mechanics of dynamic pathways to self-assembly.

Whitelam S, Jack RL.

Annu Rev Phys Chem. 2015 Apr;66:143-63. doi: 10.1146/annurev-physchem-040214-121215. Epub 2014 Dec 8.

PMID:
25493714
31.

Structure-determining step in the hierarchical assembly of peptoid nanosheets.

Sanii B, Haxton TK, Olivier GK, Cho A, Barton B, Proulx C, Whitelam S, Zuckermann RN.

ACS Nano. 2014 Nov 25;8(11):11674-84. doi: 10.1021/nn505007u. Epub 2014 Oct 24.

PMID:
25327498
32.

Growth of equilibrium structures built from a large number of distinct component types.

Hedges LO, Mannige RV, Whitelam S.

Soft Matter. 2014 Sep 14;10(34):6404-16. doi: 10.1039/c4sm01021c.

PMID:
25005537
33.

Self-assembly at a nonequilibrium critical point.

Whitelam S, Hedges LO, Schmit JD.

Phys Rev Lett. 2014 Apr 18;112(15):155504. Epub 2014 Apr 17.

PMID:
24785052
34.

Competing thermodynamic and dynamic factors select molecular assemblies on a gold surface.

Haxton TK, Zhou H, Tamblyn I, Eom D, Hu Z, Neaton JB, Heinz TF, Whitelam S.

Phys Rev Lett. 2013 Dec 27;111(26):265701. Epub 2013 Dec 26.

PMID:
24483804
35.

Development and use of an atomistic CHARMM-based forcefield for peptoid simulation.

Mirijanian DT, Mannige RV, Zuckermann RN, Whitelam S.

J Comput Chem. 2014 Feb 15;35(5):360-70. doi: 10.1002/jcc.23478. Epub 2013 Nov 29.

PMID:
24293222
36.

Microscopic evidence for liquid-liquid separation in supersaturated CaCO3 solutions.

Wallace AF, Hedges LO, Fernandez-Martinez A, Raiteri P, Gale JD, Waychunas GA, Whitelam S, Banfield JF, De Yoreo JJ.

Science. 2013 Aug 23;341(6148):885-9. doi: 10.1126/science.1230915.

37.

Uncovering the intrinsic size dependence of hydriding phase transformations in nanocrystals.

Bardhan R, Hedges LO, Pint CL, Javey A, Whitelam S, Urban JJ.

Nat Mater. 2013 Oct;12(10):905-12. doi: 10.1038/nmat3716. Epub 2013 Aug 4.

PMID:
23913172
38.

Self-assembly of multicomponent structures in and out of equilibrium.

Whitelam S, Schulman R, Hedges L.

Phys Rev Lett. 2012 Dec 28;109(26):265506. Epub 2012 Dec 28.

PMID:
23368583
39.

Real-time imaging of Pt3Fe nanorod growth in solution.

Liao HG, Cui L, Whitelam S, Zheng H.

Science. 2012 May 25;336(6084):1011-4. doi: 10.1126/science.1219185.

40.

Random and ordered phases of off-lattice rhombus tiles.

Whitelam S, Tamblyn I, Beton PH, Garrahan JP.

Phys Rev Lett. 2012 Jan 20;108(3):035702. Epub 2012 Jan 18.

PMID:
22400760
41.

Folding of a single-chain, information-rich polypeptoid sequence into a highly ordered nanosheet.

Kudirka R, Tran H, Sanii B, Nam KT, Choi PH, Venkateswaran N, Chen R, Whitelam S, Zuckermann RN.

Biopolymers. 2011;96(5):586-95.

PMID:
22180906
42.

Analyzing mechanisms and microscopic reversibility of self-assembly.

Grant J, Jack RL, Whitelam S.

J Chem Phys. 2011 Dec 7;135(21):214505. doi: 10.1063/1.3662140.

PMID:
22149800
43.

Limit of validity of Ostwald's rule of stages in a statistical mechanical model of crystallization.

Hedges LO, Whitelam S.

J Chem Phys. 2011 Oct 28;135(16):164902. doi: 10.1063/1.3655358.

PMID:
22047264
44.

Electrostatics and aggregation: how charge can turn a crystal into a gel.

Schmit JD, Whitelam S, Dill K.

J Chem Phys. 2011 Aug 28;135(8):085103. doi: 10.1063/1.3626803.

45.
46.

Microscopic implications of S-DNA.

Whitelam S, Geissler PL, Pronk S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Aug;82(2 Pt 1):021907. Epub 2010 Aug 9.

PMID:
20866837
48.

Nonclassical assembly pathways of anisotropic particles.

Whitelam S.

J Chem Phys. 2010 May 21;132(19):194901. doi: 10.1063/1.3425661.

PMID:
20499986
49.

Self-assembly of amphiphilic peanut-shaped nanoparticles.

Whitelam S, Bon SA.

J Chem Phys. 2010 Feb 21;132(7):074901. doi: 10.1063/1.3316794.

PMID:
20170245
50.

Transformation from spots to waves in a model of actin pattern formation.

Whitelam S, Bretschneider T, Burroughs NJ.

Phys Rev Lett. 2009 May 15;102(19):198103. Epub 2009 May 13.

PMID:
19519000

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