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Items: 34

1.

Designing ultrastrong 5d transition metal diborides with excellent stability for harsh service environments.

Wang N, Fu Z, Legut D, Wei B, Germann TC, Zhang R.

Phys Chem Chem Phys. 2019 Jul 24;21(29):16095-16107. doi: 10.1039/c9cp02847a.

PMID:
31290502
2.

School dismissal as a pandemic influenza response: When, where and for how long?

Germann TC, Gao H, Gambhir M, Plummer A, Biggerstaff M, Reed C, Uzicanin A.

Epidemics. 2019 Jun 12:100348. doi: 10.1016/j.epidem.2019.100348. [Epub ahead of print]

3.

A synergetic stabilization and strengthening strategy for two-dimensional ordered hybrid transition metal carbides.

Fu Z, Zhang S, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R.

Phys Chem Chem Phys. 2018 Dec 5;20(47):29684-29692. doi: 10.1039/c8cp06458j.

PMID:
30475359
4.

Phonon-mediated stabilization and softening of 2D transition metal carbides: case studies of Ti2CO2 and Mo2CO2.

Fu Z, Legut D, Germann TC, Si C, Du S, Francisco JS, Zhang R.

Phys Chem Chem Phys. 2018 May 30;20(21):14608-14618. doi: 10.1039/c8cp00752g.

PMID:
29766161
5.

Designing flexible 2D transition metal carbides with strain-controllable lithium storage.

Zhang H, Fu Z, Zhang R, Zhang Q, Tian H, Legut D, Germann TC, Guo Y, Du S, Francisco JS.

Proc Natl Acad Sci U S A. 2017 Dec 26;114(52):E11082-E11091. doi: 10.1073/pnas.1717219115. Epub 2017 Dec 11.

6.

An informatics guided classification of miscible and immiscible binary alloy systems.

Zhang RF, Kong XF, Wang HT, Zhang SH, Legut D, Sheng SH, Srinivasan S, Rajan K, Germann TC.

Sci Rep. 2017 Aug 29;7(1):9577. doi: 10.1038/s41598-017-09704-1.

7.

Graph-based linear scaling electronic structure theory.

Niklasson AM, Mniszewski SM, Negre CF, Cawkwell MJ, Swart PJ, Mohd-Yusof J, Germann TC, Wall ME, Bock N, Rubensson EH, Djidjev H.

J Chem Phys. 2016 Jun 21;144(23):234101. doi: 10.1063/1.4952650.

PMID:
27334148
8.

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics.

Mniszewski SM, Cawkwell MJ, Wall ME, Mohd-Yusof J, Bock N, Germann TC, Niklasson AM.

J Chem Theory Comput. 2015 Oct 13;11(10):4644-54. doi: 10.1021/acs.jctc.5b00552. Epub 2015 Sep 29.

PMID:
26574255
9.

New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies.

Xu Y, Bai X, Zha X, Huang Q, He J, Luo K, Zhou Y, Germann TC, Francisco JS, Du S.

J Chem Phys. 2015 Sep 21;143(11):114707. doi: 10.1063/1.4931398.

PMID:
26395728
10.

Dynamical and transport properties of liquid gallium at high pressures.

Sheppard D, Mazevet S, Cherne FJ, Albers RC, Kadau K, Germann TC, Kress JD, Collins LA.

Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Jun;91(6):063101. Epub 2015 Jun 1.

PMID:
26172802
11.

Mesodynamics with implicit degrees of freedom.

Lin KH, Holian BL, Germann TC, Strachan A.

J Chem Phys. 2014 Aug 14;141(6):064107. doi: 10.1063/1.4891308.

PMID:
25134551
12.

Crystal structure and encapsulation dynamics of ice II-structured neon hydrate.

Yu X, Zhu J, Du S, Xu H, Vogel SC, Han J, Germann TC, Zhang J, Jin C, Francisco JS, Zhao Y.

Proc Natl Acad Sci U S A. 2014 Jul 22;111(29):10456-61. doi: 10.1073/pnas.1410690111. Epub 2014 Jul 7.

13.

Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate.

Zhu J, Du S, Yu X, Zhang J, Xu H, Vogel SC, Germann TC, Francisco JS, Izumi F, Momma K, Kawamura Y, Jin C, Zhao Y.

Nat Commun. 2014 Jun 17;5:4128. doi: 10.1038/ncomms5128.

14.

Entropic stabilization of nanoscale voids in materials under tension.

Perez D, Luo SN, Voter AF, Germann TC.

Phys Rev Lett. 2013 May 17;110(20):206001. Epub 2013 May 13.

PMID:
25167430
15.

Use of the Richtmyer-Meshkov instability to infer yield stress at high-energy densities.

Dimonte G, Terrones G, Cherne FJ, Germann TC, Dupont V, Kadau K, Buttler WT, Oro DM, Morris C, Preston DL.

Phys Rev Lett. 2011 Dec 23;107(26):264502. Epub 2011 Dec 23.

PMID:
22243159
16.

The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism.

Du S, Germann TC, Francisco JS, Peterson KA, Yu HG, Lyons JR.

J Chem Phys. 2011 Apr 21;134(15):154508. doi: 10.1063/1.3572226.

PMID:
21513396
17.

Atomistic methods in fluid simulation.

Kadau K, Barber JL, Germann TC, Holian BL, Alder BJ.

Philos Trans A Math Phys Eng Sci. 2010 Apr 13;368(1916):1547-60. doi: 10.1098/rsta.2009.0218.

PMID:
20211873
18.

A quantum chemistry study of Diels-Alder dimerizations in benzene and anthracene.

Quenneville J, Germann TC.

J Chem Phys. 2009 Jul 14;131(2):024313. doi: 10.1063/1.3159542.

PMID:
19603997
19.

Molecular dynamics simulations of detonation instability.

Heim AJ, Grønbech-Jensen N, Kober EM, Germann TC.

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Oct;78(4 Pt 2):046710. Epub 2008 Oct 28.

PMID:
18999564
20.

Interaction potential for atomic simulations of conventional high explosives.

Heim AJ, Grønbech-Jensen N, Kober EM, Erpenbeck JJ, Germann TC.

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Oct;78(4 Pt 2):046709. Epub 2008 Oct 28.

PMID:
18999563
21.

Scaling of atomistic fluid dynamics simulations.

Kadau K, Barber JL, Germann TC, Alder BJ.

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Oct;78(4 Pt 2):045301. Epub 2008 Oct 27.

PMID:
18999481
22.

Modeling targeted layered containment of an influenza pandemic in the United States.

Halloran ME, Ferguson NM, Eubank S, Longini IM Jr, Cummings DA, Lewis B, Xu S, Fraser C, Vullikanti A, Germann TC, Wagener D, Beckman R, Kadau K, Barrett C, Macken CA, Burke DS, Cooley P.

Proc Natl Acad Sci U S A. 2008 Mar 25;105(12):4639-44. doi: 10.1073/pnas.0706849105. Epub 2008 Mar 10.

23.

Influence of interatomic bonding potentials on detonation properties.

Heim AJ, Grønbech-Jensen N, Germann TC, Holian BL, Kober EM, Lomdahl PS.

Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Aug;76(2 Pt 2):026318. Epub 2007 Aug 29.

PMID:
17930153
24.

Shock waves in polycrystalline iron.

Kadau K, Germann TC, Lomdahl PS, Albers RC, Wark JS, Higginbotham A, Holian BL.

Phys Rev Lett. 2007 Mar 30;98(13):135701. Epub 2007 Mar 26.

PMID:
17501216
25.

The importance of fluctuations in fluid mixing.

Kadau K, Rosenblatt C, Barber JL, Germann TC, Huang Z, Carlès P, Alder BJ.

Proc Natl Acad Sci U S A. 2007 May 8;104(19):7741-5. Epub 2007 Apr 30.

26.

Atomistic simulations of shock-induced alloying reactions in Ni/Al nanolaminates.

Zhao S, Germann TC, Strachan A.

J Chem Phys. 2006 Oct 28;125(16):164707.

PMID:
17092120
27.

Mitigation strategies for pandemic influenza in the United States.

Germann TC, Kadau K, Longini IM Jr, Macken CA.

Proc Natl Acad Sci U S A. 2006 Apr 11;103(15):5935-40. Epub 2006 Apr 3.

28.

Direct observation of the alpha-epsilon transition in shock-compressed iron via nanosecond x-ray diffraction.

Kalantar DH, Belak JF, Collins GW, Colvin JD, Davies HM, Eggert JH, Germann TC, Hawreliak J, Holian BL, Kadau K, Lomdahl PS, Lorenzana HE, Meyers MA, Rosolankova K, Schneider MS, Sheppard J, Stölken JS, Wark JS.

Phys Rev Lett. 2005 Aug 12;95(7):075502. Epub 2005 Aug 9.

PMID:
16196791
29.

Nanohydrodynamics simulations: an atomistic view of the Rayleigh-Taylor instability.

Kadau K, Germann TC, Hadjiconstantinou NG, Lomdahl PS, Dimonte G, Holian BL, Alder BJ.

Proc Natl Acad Sci U S A. 2004 Apr 20;101(16):5851-5. Epub 2004 Apr 5.

30.

Atomistic mechanism for hot spot initiation.

Holian BL, Germann TC, Maillet JB, White CT.

Phys Rev Lett. 2002 Dec 31;89(28 Pt 1):285501. Epub 2002 Dec 27. Erratum in: Phys Rev Lett. 2003 Feb 14;90(6):069902..

PMID:
12513155
31.

Microscopic view of structural phase transitions induced by shock waves.

Kadau K, Germann TC, Lomdahl PS, Holian BL.

Science. 2002 May 31;296(5573):1681-4.

32.

Uniaxial Hugoniostat: a method for atomistic simulations of shocked materials.

Maillet JB, Mareschal M, Soulard L, Ravelo R, Lomdahl PS, Germann TC, Holian BL.

Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Jan;63(1 Pt 2):016121. Epub 2000 Dec 27.

PMID:
11304328
33.

Orientation dependence in molecular dynamics simulations of shocked single crystals

Germann TC, Holian BL, Lomdahl PS, Ravelo R.

Phys Rev Lett. 2000 Jun 5;84(23):5351-4.

PMID:
10990941
34.

Circular Rydberg States of the Hydrogen Atom in a Magnetic Field.

Germann TC, Herschbach DR, Dunn M, Watson DK.

Phys Rev Lett. 1995 Jan 30;74(5):658-661. No abstract available.

PMID:
10058815

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