Germann T - Search Results

1

Automated discovery of a robust interatomic potential for aluminum.

Smith JS, Nebgen B, Mathew N, Chen J, Lubbers N, Burakovsky L, Tretiak S, Nam HA, Germann T, Fensin S, Barros K. Smith JS, et al. Among authors: germann t. Nat Commun. 2021 Feb 23;12(1):1257. doi: 10.1038/s41467-021-21376-0. Nat Commun. 2021. PMID: 33623036 Free PMC article.

2

Modeling and scale-bridging using machine learning: nanoconfinement effects in porous media.

Lubbers N, Agarwal A, Chen Y, Son S, Mehana M, Kang Q, Karra S, Junghans C, Germann TC, Viswanathan HS. Lubbers N, et al. Sci Rep. 2020 Aug 7;10(1):13312. doi: 10.1038/s41598-020-69661-0. Sci Rep. 2020. PMID: 32770012 Free PMC article.

3

Multiscale simulation of plasma flows using active learning.

Diaw A, Barros K, Haack J, Junghans C, Keenan B, Li YW, Livescu D, Lubbers N, McKerns M, Pavel RS, Rosenberger D, Sagert I, Germann TC. Diaw A, et al. Among authors: germann tc. Phys Rev E. 2020 Aug;102(2-1):023310. doi: 10.1103/PhysRevE.102.023310. Phys Rev E. 2020. PMID: 32942385

4

Machine learning of consistent thermodynamic models using automatic differentiation.

Rosenberger D, Barros K, Germann TC, Lubbers N. Rosenberger D, et al. Among authors: germann tc. Phys Rev E. 2022 Apr;105(4-2):045301. doi: 10.1103/PhysRevE.105.045301. Phys Rev E. 2022. PMID: 35590626

5

Predictive scale-bridging simulations through active learning.

Karra S, Mehana M, Lubbers N, Chen Y, Diaw A, Santos JE, Pachalieva A, Pavel RS, Haack JR, McKerns M, Junghans C, Kang Q, Livescu D, Germann TC, Viswanathan HS. Karra S, et al. Among authors: germann tc. Sci Rep. 2023 Sep 27;13(1):16262. doi: 10.1038/s41598-023-42823-6. Sci Rep. 2023. PMID: 37758757 Free PMC article.

6

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. Zhu J, et al. Nat Commun. 2014 Jun 17;5:4128. doi: 10.1038/ncomms5128. Nat Commun. 2014. PMID: 24936712 Free PMC article.

7

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. Dimonte G, et al. Among authors: germann tc. Phys Rev Lett. 2011 Dec 23;107(26):264502. doi: 10.1103/PhysRevLett.107.264502. Epub 2011 Dec 23. Phys Rev Lett. 2011. PMID: 22243159

8

Microscopic view of structural phase transitions induced by shock waves.

Kadau K, Germann TC, Lomdahl PS, Holian BL. Kadau K, et al. Science. 2002 May 31;296(5573):1681-4. doi: 10.1126/science.1070375. Science. 2002. PMID: 12040192

9

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. Niklasson AM, et al. J Chem Phys. 2016 Jun 21;144(23):234101. doi: 10.1063/1.4952650. J Chem Phys. 2016. PMID: 27334148

10

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. Mniszewski SM, et al. Among authors: germann tc. J Chem Theory Comput. 2015 Oct 13;11(10):4644-54. doi: 10.1021/acs.jctc.5b00552. Epub 2015 Sep 29. J Chem Theory Comput. 2015. PMID: 26574255

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