Choudhary K - Search Results

1

Graphene-Titanium Interfaces from Molecular Dynamics Simulations.

Fonseca AF, Liang T, Zhang D, Choudhary K, Phillpot SR, Sinnott SB. Fonseca AF, et al. Among authors: choudhary k. ACS Appl Mater Interfaces. 2017 Sep 27;9(38):33288-33297. doi: 10.1021/acsami.7b09469. Epub 2017 Sep 13. ACS Appl Mater Interfaces. 2017. PMID: 28868882

2

Charge optimized many-body potential for aluminum.

Choudhary K, Liang T, Chernatynskiy A, Lu Z, Goyal A, Phillpot SR, Sinnott SB. Choudhary K, et al. J Phys Condens Matter. 2015 Jan 14;27(1):015003. doi: 10.1088/0953-8984/27/1/015003. Epub 2014 Nov 19. J Phys Condens Matter. 2015. PMID: 25407244

3

Charge optimized many-body (COMB) potential for Al2O3 materials, interfaces, and nanostructures.

Choudhary K, Liang T, Chernatynskiy A, Phillpot SR, Sinnott SB. Choudhary K, et al. J Phys Condens Matter. 2015 Aug 5;27(30):305004. doi: 10.1088/0953-8984/27/30/305004. Epub 2015 Jul 7. J Phys Condens Matter. 2015. PMID: 26151746

4

Charge optimized many-body (COMB) potential for dynamical simulation of Ni-Al phases.

Kumar A, Chernatynskiy A, Liang T, Choudhary K, Noordhoek MJ, Cheng YT, Phillpot SR, Sinnott SB. Kumar A, et al. Among authors: choudhary k. J Phys Condens Matter. 2015 Aug 26;27(33):336302. doi: 10.1088/0953-8984/27/33/336302. Epub 2015 Aug 3. J Phys Condens Matter. 2015. PMID: 26234209

5

Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface.

Choudhary K, Congo FY, Liang T, Becker C, Hennig RG, Tavazza F. Choudhary K, et al. Sci Data. 2017 Jan 31;4:160125. doi: 10.1038/sdata.2016.125. Sci Data. 2017. PMID: 28140407 Free PMC article.

6

Uncertainty Prediction for Machine Learning Models of Material Properties.

Tavazza F, DeCost B, Choudhary K. Tavazza F, et al. Among authors: choudhary k. ACS Omega. 2021 Nov 23;6(48):32431-32440. doi: 10.1021/acsomega.1c03752. eCollection 2021 Dec 7. ACS Omega. 2021. PMID: 34901594 Free PMC article.

7

Spin-exchange interaction between transition metals and metalloids in soft-ferromagnetic metallic glasses.

Das S, Choudhary K, Chernatynskiy A, Choi Yim H, Bandyopadhyay AK, Mukherjee S. Das S, et al. Among authors: choudhary k. J Phys Condens Matter. 2016 Jun 2;28(21):216003. doi: 10.1088/0953-8984/28/21/216003. Epub 2016 May 4. J Phys Condens Matter. 2016. PMID: 27143686

8

Characterization of Few-Layer 1T' MoTe₂ by Polarization-Resolved Second Harmonic Generation and Raman Scattering.

Beams R, Cançado LG, Krylyuk S, Kalish I, Kalanyan B, Singh AK, Choudhary K, Bruma A, Vora PM, Tavazza F, Davydov AV, Stranick SJ. Beams R, et al. Among authors: choudhary k. ACS Nano. 2016 Oct 25;10(10):9626-9636. doi: 10.1021/acsnano.6b05127. Epub 2016 Oct 13. ACS Nano. 2016. PMID: 27704774 Free PMC article.

9

High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory.

Choudhary K, Kalish I, Beams R, Tavazza F. Choudhary K, et al. Sci Rep. 2017 Jul 12;7(1):5179. doi: 10.1038/s41598-017-05402-0. Sci Rep. 2017. PMID: 28701780 Free PMC article.

10

Computational screening of high-performance optoelectronic materials using OptB88vdW and TB-mBJ formalisms.

Choudhary K, Zhang Q, Reid ACE, Chowdhury S, Van Nguyen N, Trautt Z, Newrock MW, Congo FY, Tavazza F. Choudhary K, et al. Sci Data. 2018 May 8;5:180082. doi: 10.1038/sdata.2018.82. Sci Data. 2018. PMID: 29737975 Free PMC article.

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