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Items: 1 to 50 of 123

1.

Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag2Se.

Shimamura K, Fukushima S, Koura A, Shimojo F, Misawa M, Kalia RK, Nakano A, Vashishta P, Matsubara T, Tanaka S.

J Chem Phys. 2019 Sep 28;151(12):124303. doi: 10.1063/1.5116420.

PMID:
31575208
2.

Nanoindentation on Monolayer MoS2 Kirigami.

Wang B, Nakano A, Vashishta PD, Kalia RK.

ACS Omega. 2019 Jun 7;4(6):9952-9956. doi: 10.1021/acsomega.9b00771. eCollection 2019 Jun 30.

3.

Phonon-Suppressed Auger Scattering of Charge Carriers in Defective Two-Dimensional Transition Metal Dichalcogenides.

Li L, Lin MF, Zhang X, Britz A, Krishnamoorthy A, Ma R, Kalia RK, Nakano A, Vashishta P, Ajayan P, Hoffmann MC, Fritz DM, Bergmann U, Prezhdo OV.

Nano Lett. 2019 Sep 11;19(9):6078-6086. doi: 10.1021/acs.nanolett.9b02005. Epub 2019 Aug 23.

PMID:
31434484
4.

Open and cut: allosteric motion and membrane fission by dynamin superfamily proteins.

Kalia R, Frost A.

Mol Biol Cell. 2019 Aug 1;30(17):2097-2104. doi: 10.1091/mbc.E16-10-0709.

PMID:
31365329
5.

Two-Dimensional Lateral Epitaxy of 2H (MoSe2)-1T' (ReSe2) Phases.

Apte A, Krishnamoorthy A, Hachtel JA, Susarla S, Yoon J, Sassi LM, Bharadwaj P, Tour JM, Idrobo JC, Kalia RK, Nakano A, Vashishta P, Tiwary CS, Ajayan PM.

Nano Lett. 2019 Sep 11;19(9):6338-6345. doi: 10.1021/acs.nanolett.9b02476. Epub 2019 Aug 9.

PMID:
31356089
6.

Anthropometric measurements of patella and its clinical implications.

Jain R, Kalia RB, Das L.

Eur J Orthop Surg Traumatol. 2019 Jul 8. doi: 10.1007/s00590-019-02490-8. [Epub ahead of print]

PMID:
31286219
7.

Hot-Carrier Dynamics and Chemistry in Dielectric Polymers.

Kumazoe H, Fukushima S, Tiwari S, Kim C, Huan TD, Kalia RK, Nakano A, Ramprasad R, Shimojo F, Vashishta P.

J Phys Chem Lett. 2019 Jul 18;10(14):3937-3943. doi: 10.1021/acs.jpclett.9b01344. Epub 2019 Jul 2.

PMID:
31264426
8.

Optical Control of Non-Equilibrium Phonon Dynamics.

Krishnamoorthy A, Lin MF, Zhang X, Weninger C, Ma R, Britz A, Tiwary CS, Kochat V, Apte A, Yang J, Park S, Li R, Shen X, Wang X, Kalia R, Nakano A, Shimojo F, Fritz D, Bergmann U, Ajayan P, Vashishta P.

Nano Lett. 2019 Aug 14;19(8):4981-4989. doi: 10.1021/acs.nanolett.9b01179. Epub 2019 Jul 1.

PMID:
31260315
9.

Defect Healing in Layered Materials: A Machine Learning-Assisted Characterization of MoS2 Crystal Phases.

Hong S, Nomura KI, Krishnamoorthy A, Rajak P, Sheng C, Kalia RK, Nakano A, Vashishta P.

J Phys Chem Lett. 2019 Jun 6;10(11):2739-2744. doi: 10.1021/acs.jpclett.9b00425. Epub 2019 May 13.

PMID:
31046288
10.

Evaluation of Challenges in Diagnosis of Spontaneous Subacute Pyogenic Spondylodiscitis in Immunocompetent Patients: Experiences from a Tertiary Care Center.

Pandita N, Paul S, Yadav G, Kalia RB, Kandwal P.

Asian Spine J. 2019 Apr 2:621-629. doi: 10.31616/asj.2018.0220. [Epub ahead of print]

11.

Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles.

Misawa M, Hashimoto H, Kalia RK, Matsumoto S, Nakano A, Shimojo F, Takada J, Tiwari S, Tsuruta K, Vashishta P.

Sci Rep. 2019 Feb 12;9(1):1828. doi: 10.1038/s41598-019-38540-8.

12.

Molecular Simulation of MoS2 Exfoliation.

Zhou G, Rajak P, Susarla S, Ajayan PM, Kalia RK, Nakano A, Vashishta P.

Sci Rep. 2018 Nov 13;8(1):16761. doi: 10.1038/s41598-018-35008-z.

13.

Dewetting of monolayer water and isopropanol between MoS2 nanosheets.

Wang B, Kalia RK, Nakano A, Vashishta PD.

Sci Rep. 2018 Nov 12;8(1):16704. doi: 10.1038/s41598-018-35163-3.

14.

Energetic Performance of Optically Activated Aluminum/Graphene Oxide Composites.

Jiang Y, Deng S, Hong S, Zhao J, Huang S, Wu CC, Gottfried JL, Nomura KI, Li Y, Tiwari S, Kalia RK, Vashishta P, Nakano A, Zheng X.

ACS Nano. 2018 Nov 27;12(11):11366-11375. doi: 10.1021/acsnano.8b06217. Epub 2018 Oct 17.

PMID:
30335365
15.

Role of H Transfer in the Gas-Phase Sulfidation Process of MoO3: A Quantum Molecular Dynamics Study.

Sheng C, Hong S, Krishnamoorthy A, Kalia RK, Nakano A, Shimojo F, Vashishta P.

J Phys Chem Lett. 2018 Nov 15;9(22):6517-6523. doi: 10.1021/acs.jpclett.8b02151. Epub 2018 Nov 2.

PMID:
30296091
16.

Faceting, Grain Growth, and Crack Healing in Alumina.

Rajak P, Kalia RK, Nakano A, Vashishta P.

ACS Nano. 2018 Sep 25;12(9):9005-9010. doi: 10.1021/acsnano.8b02484. Epub 2018 Aug 7.

PMID:
30074760
17.

Complex Behavior of Ordered and Icelike Water in Carbon Nanotubes near Its Bulk Boiling Point.

Cobeña-Reyes J, Kalia RK, Sahimi M.

J Phys Chem Lett. 2018 Aug 16;9(16):4746-4752. doi: 10.1021/acs.jpclett.8b01953. Epub 2018 Aug 7.

PMID:
30073835
18.

Electronic Origin of Optically-Induced Sub-Picosecond Lattice Dynamics in MoSe2 Monolayer.

Bassman L, Krishnamoorthy A, Kumazoe H, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P.

Nano Lett. 2018 Aug 8;18(8):4653-4658. doi: 10.1021/acs.nanolett.8b00474. Epub 2018 Jul 13.

PMID:
29990437
19.

Photo-induced lattice contraction in layered materials.

Kumazoe H, Krishnamoorthy A, Bassman L, Kalia RK, Nakano A, Shimojo F, Vashishta P.

J Phys Condens Matter. 2018 Aug 15;30(32):32LT02. doi: 10.1088/1361-648X/aad022. Epub 2018 Jun 29.

PMID:
29957601
20.

Structural basis of mitochondrial receptor binding and constriction by DRP1.

Kalia R, Wang RY, Yusuf A, Thomas PV, Agard DA, Shaw JM, Frost A.

Nature. 2018 Jun;558(7710):401-405. doi: 10.1038/s41586-018-0211-2. Epub 2018 Jun 13.

21.

Vms1p is a release factor for the ribosome-associated quality control complex.

Zurita Rendón O, Fredrickson EK, Howard CJ, Van Vranken J, Fogarty S, Tolley ND, Kalia R, Osuna BA, Shen PS, Hill CP, Frost A, Rutter J.

Nat Commun. 2018 Jun 6;9(1):2197. doi: 10.1038/s41467-018-04564-3.

22.

Structural Phase Transformation in Strained Monolayer MoWSe2 Alloy.

Apte A, Kochat V, Rajak P, Krishnamoorthy A, Manimunda P, Hachtel JA, Idrobo JC, Syed Amanulla SA, Vashishta P, Nakano A, Kalia RK, Tiwary CS, Ajayan PM.

ACS Nano. 2018 Apr 24;12(4):3468-3476. doi: 10.1021/acsnano.8b00248. Epub 2018 Mar 7.

PMID:
29481059
23.

Semiconductor-metal structural phase transformation in MoTe2 monolayers by electronic excitation.

Krishnamoorthy A, Bassman L, Kalia RK, Nakano A, Shimojo F, Vashishta P.

Nanoscale. 2018 Feb 8;10(6):2742-2747. doi: 10.1039/c7nr07890k.

PMID:
29334101
24.

The future of general practice: brave new dawn or dark skies ahead?

Sonsale A, Thorne T, Kalia R, Ghattaora S, Hawkes D.

Br J Gen Pract. 2018 Jan;68(666):4-5. doi: 10.3399/bjgp17X693953. No abstract available.

25.

Analysis of killing of growing cells and dormant and germinated spores of Bacillus species by black silicon nanopillars.

Ghosh S, Niu S, Yankova M, Mecklenburg M, King SM, Ravichandran J, Kalia RK, Nakano A, Vashishta P, Setlow P.

Sci Rep. 2017 Dec 19;7(1):17768. doi: 10.1038/s41598-017-18125-z.

26.

Reactivity of Sulfur Molecules on MoO3 (010) Surface.

Misawa M, Tiwari S, Hong S, Krishnamoorthy A, Shimojo F, Kalia RK, Nakano A, Vashishta P.

J Phys Chem Lett. 2017 Dec 21;8(24):6206-6210. doi: 10.1021/acs.jpclett.7b03011. Epub 2017 Dec 13.

PMID:
29220193
27.

Ultrafast non-radiative dynamics of atomically thin MoSe2.

Lin MF, Kochat V, Krishnamoorthy A, Bassman L, Weninger C, Zheng Q, Zhang X, Apte A, Tiwary CS, Shen X, Li R, Kalia R, Ajayan P, Nakano A, Vashishta P, Shimojo F, Wang X, Fritz DM, Bergmann U.

Nat Commun. 2017 Nov 23;8(1):1745. doi: 10.1038/s41467-017-01844-2.

28.

Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism.

Kochat V, Apte A, Hachtel JA, Kumazoe H, Krishnamoorthy A, Susarla S, Idrobo JC, Shimojo F, Vashishta P, Kalia R, Nakano A, Tiwary CS, Ajayan PM.

Adv Mater. 2017 Nov;29(43). doi: 10.1002/adma.201703754. Epub 2017 Oct 9.

PMID:
28990227
29.
30.

Computational Synthesis of MoS2 Layers by Reactive Molecular Dynamics Simulations: Initial Sulfidation of MoO3 Surfaces.

Hong S, Krishnamoorthy A, Rajak P, Tiwari S, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P.

Nano Lett. 2017 Aug 9;17(8):4866-4872. doi: 10.1021/acs.nanolett.7b01727. Epub 2017 Jul 6.

PMID:
28671475
31.

Picosecond amorphization of SiO2 stishovite under tension.

Misawa M, Ryuo E, Yoshida K, Kalia RK, Nakano A, Nishiyama N, Shimojo F, Vashishta P, Wakai F.

Sci Adv. 2017 May 12;3(5):e1602339. doi: 10.1126/sciadv.1602339. eCollection 2017 May.

32.

Understanding advance care planning within the South Asian community.

Biondo PD, Kalia R, Khan RA, Asghar N, Banerjee C, Boulton D, Marlett N, Shklarov S, Simon JE.

Health Expect. 2017 Oct;20(5):911-919. doi: 10.1111/hex.12531. Epub 2017 Mar 10.

33.

Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study.

Shimamura K, Hakamata T, Shimojo F, Kalia RK, Nakano A, Vashishta P.

J Chem Phys. 2016 Dec 14;145(22):224503.

PMID:
27984900
34.

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision.

Li Y, Kalia RK, Misawa M, Nakano A, Nomura K, Shimamura K, Shimojo F, Vashishta P.

Nanoscale. 2016 May 14;8(18):9714-20. doi: 10.1039/c5nr08769d. Epub 2016 Apr 25.

PMID:
27110831
35.

Nanocarbon synthesis by high-temperature oxidation of nanoparticles.

Nomura K, Kalia RK, Li Y, Nakano A, Rajak P, Sheng C, Shimamura K, Shimojo F, Vashishta P.

Sci Rep. 2016 Apr 20;6:24109. doi: 10.1038/srep24109.

36.

The nature of free-carrier transport in organometal halide perovskites.

Hakamata T, Shimamura K, Shimojo F, Kalia RK, Nakano A, Vashishta P.

Sci Rep. 2016 Jan 19;6:19599. doi: 10.1038/srep19599.

37.

Dynamics of supercooled water in nanotubes: cage correlation function and diffusion coefficient.

Khademi M, Kalia RK, Sahimi M.

Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Sep;92(3):030301. doi: 10.1103/PhysRevE.92.030301. Epub 2015 Sep 29.

PMID:
26465407
38.

Structural and functional studies of membrane remodeling machines.

Kalia R, Talledge N, Frost A.

Methods Cell Biol. 2015;128:165-200. doi: 10.1016/bs.mcb.2015.02.007. Epub 2015 Apr 8.

39.

The era of big data.

Kalia R, Lippmann C, Lui H, Cymet T.

Md Med. 2014;15(3):19-21. No abstract available.

PMID:
25711047
40.

Quantitative determination of guggulsterone in existing natural populations of Commiphora wightii (Arn.) Bhandari for identification of germplasm having higher guggulsterone content.

Kulhari A, Sheorayan A, Chaudhury A, Sarkar S, Kalia RK.

Physiol Mol Biol Plants. 2015 Jan;21(1):71-81. doi: 10.1007/s12298-014-0271-1. Epub 2014 Nov 22.

41.

Hydrogen-on-demand using metallic alloy nanoparticles in water.

Shimamura K, Shimojo F, Kalia RK, Nakano A, Nomura K, Vashishta P.

Nano Lett. 2014 Jul 9;14(7):4090-6. doi: 10.1021/nl501612v. Epub 2014 Jun 26.

PMID:
24960149
42.

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations.

Shimojo F, Hattori S, Kalia RK, Kunaseth M, Mou W, Nakano A, Nomura K, Ohmura S, Rajak P, Shimamura K, Vashishta P.

J Chem Phys. 2014 May 14;140(18):18A529. doi: 10.1063/1.4869342.

PMID:
24832337
43.

Investigation of heavy metals in frequently utilized medicinal plants collected from environmentally diverse locations of north western India.

Kulhari A, Sheorayan A, Bajar S, Sarkar S, Chaudhury A, Kalia RK.

Springerplus. 2013 Dec 17;2:676. doi: 10.1186/2193-1801-2-676. eCollection 2013.

44.

Limitations, progress and prospects of application of biotechnological tools in improvement of bamboo-a plant with extraordinary qualities.

Singh SR, Singh R, Kalia S, Dalal S, Dhawan AK, Kalia RK.

Physiol Mol Biol Plants. 2013 Jan;19(1):21-41. doi: 10.1007/s12298-012-0147-1. Review.

45.

Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulations.

Shekhar A, Nomura K, Kalia RK, Nakano A, Vashishta P.

Phys Rev Lett. 2013 Nov 1;111(18):184503. Epub 2013 Oct 31.

PMID:
24237524
46.

Bonding and structure of ceramic-ceramic interfaces.

Shimamura K, Shimojo F, Kalia RK, Nakano A, Vashishta P.

Phys Rev Lett. 2013 Aug 9;111(6):066103. Epub 2013 Aug 8.

PMID:
23971593
47.

Bilateral gynecomastia: A rare presentation of thyrotoxicosis.

Kumar KV, Kumar A, Bansal R, Kalia R.

Indian J Endocrinol Metab. 2013 Mar;17(2):357-8. doi: 10.4103/2230-8210.109680. No abstract available.

48.

Low triiodothyronine predicts mortality in critically ill patients.

Kumar KV, Kapoor U, Kalia R, Chandra NS, Singh P, Nangia R.

Indian J Endocrinol Metab. 2013 Mar;17(2):285-8. doi: 10.4103/2230-8210.109715.

49.

Cholesterol translocation in a phospholipid membrane.

Choubey A, Kalia RK, Malmstadt N, Nakano A, Vashishta P.

Biophys J. 2013 Jun 4;104(11):2429-36. doi: 10.1016/j.bpj.2013.04.036.

50.

Interchangeable adaptors regulate mitochondrial dynamin assembly for membrane scission.

Koirala S, Guo Q, Kalia R, Bui HT, Eckert DM, Frost A, Shaw JM.

Proc Natl Acad Sci U S A. 2013 Apr 9;110(15):E1342-51. doi: 10.1073/pnas.1300855110. Epub 2013 Mar 25.

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