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Items: 1 to 50 of 52

1.

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
2.

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 Jul 1. doi: 10.1021/acs.nanolett.9b01179. [Epub ahead of print]

PMID:
31260315
3.

Natural arsenic with a unique order structure: potential for new quantum materials.

Yoshiasa A, Tokuda M, Misawa M, Shimojo F, Momma K, Miyawaki R, Matsubara S, Nakatsuka A, Sugiyama K.

Sci Rep. 2019 Apr 18;9(1):6275. doi: 10.1038/s41598-019-42561-8.

4.

Structural change in liquid sulphur from chain polymeric liquid to atomic simple liquid under high pressure.

Ohmura S, Shimojo F.

J Phys Condens Matter. 2019 May 29;31(21):215101. doi: 10.1088/1361-648X/ab0a35. Epub 2019 Mar 21.

PMID:
30897066
5.

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.

6.

Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean.

Shimamura K, Shimojo F, Nakano A, Tanaka S.

J Comput Chem. 2019 Jan 15;40(2):349-359. doi: 10.1002/jcc.25606. Epub 2018 Oct 11.

PMID:
30306615
7.

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
8.

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
9.

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
10.

Viscoelastic anomaly accompanying anti-crossing behaviour in liquid As2Se3.

Inui M, Baron AQR, Kajihara Y, Matsuda K, Hosokawa S, Kimura K, Tsuchiya Y, Shimojo F, Yao M, Tsutsui S, Ishikawa D, Tamura K.

J Phys Condens Matter. 2018 Jul 18;30(28):28LT02. doi: 10.1088/1361-648X/aacab5. Epub 2018 Jun 6.

PMID:
29873306
11.

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
12.

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
13.

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.

14.

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
15.

Effects of CO2 adsorption on proton migration on a hydrated ZrO2 surface: an ab initio molecular dynamics study.

Sato R, Shibuta Y, Shimojo F, Yamaguchi S.

Phys Chem Chem Phys. 2017 Aug 2;19(30):20198-20205. doi: 10.1039/c7cp01650f.

PMID:
28726881
16.

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
17.

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.

18.

Meteorite impacts on ancient oceans opened up multiple NH3 production pathways.

Shimamura K, Shimojo F, Nakano A, Tanaka S.

Phys Chem Chem Phys. 2017 May 10;19(18):11655-11667. doi: 10.1039/c7cp00870h.

PMID:
28435960
19.

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
20.

Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation.

Shimamura K, Shimojo F, Nakano A, Tanaka S.

Sci Rep. 2016 Dec 14;6:38953. doi: 10.1038/srep38953.

21.

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
22.

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.

23.

Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations.

Shimamura K, Shibuta Y, Ohmura S, Arifin R, Shimojo F.

J Phys Condens Matter. 2016 Apr 13;28(14):145001. doi: 10.1088/0953-8984/28/14/145001. Epub 2016 Mar 8.

PMID:
26953616
24.

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.

25.

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
26.

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
27.

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
28.

Dynamic asymmetry of self-diffusion in liquid ZnCl2 under pressure: an ab initio molecular-dynamics study.

Koura A, Ohmura S, Shimojo F.

J Chem Phys. 2013 Apr 7;138(13):134504. doi: 10.1063/1.4798376.

PMID:
23574241
29.

Transverse excitations in liquid Sn.

Hosokawa S, Munejiri S, Inui M, Kajihara Y, Pilgrim WC, Ohmasa Y, Tsutsui S, Baron AQ, Shimojo F, Hoshino K.

J Phys Condens Matter. 2013 Mar 20;25(11):112101. doi: 10.1088/0953-8984/25/11/112101. Epub 2013 Feb 4.

PMID:
23378432
30.

Enhanced charge transfer by phenyl groups at a rubrene/C60 interface.

Mou W, Ohmura S, Hattori S, Nomura K, Shimojo F, Nakano A.

J Chem Phys. 2012 May 14;136(18):184705. doi: 10.1063/1.4712616.

PMID:
22583307
31.

Reaction of aluminum clusters with water.

Ohmura S, Shimojo F, Kalia RK, Kunaseth M, Nakano A, Vashishta P.

J Chem Phys. 2011 Jun 28;134(24):244702. doi: 10.1063/1.3602326.

PMID:
21721652
32.

Ab initio study on the hydrogen desorption from MH-NH3 (M = Li, Na, K) hydrogen storage systems.

Yamane A, Shimojo F, Hoshino K, Ichikawa T, Kojima Y.

J Chem Phys. 2011 Mar 28;134(12):124515. doi: 10.1063/1.3562122.

PMID:
21456684
33.

Molecular dynamics simulations of rapid hydrogen production from water using aluminum clusters as catalyzers.

Shimojo F, Ohmura S, Kalia RK, Nakano A, Vashishta P.

Phys Rev Lett. 2010 Mar 26;104(12):126102. Epub 2010 Mar 26.

PMID:
20366551
34.

Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions.

Shimojo F, Wu Z, Nakano A, Kalia RK, Vashishta P.

J Chem Phys. 2010 Mar 7;132(9):094106. doi: 10.1063/1.3336452.

PMID:
20210388
35.

Reconstruction of carbon atoms around a point defect of a graphene: a hybrid quantum/classical molecular-dynamics simulation.

Kowaki Y, Harada A, Shimojo F, Hoshino K.

J Phys Condens Matter. 2009 Feb 11;21(6):064202. doi: 10.1088/0953-8984/21/6/064202. Epub 2009 Jan 20.

PMID:
21715905
36.

Molecular dynamical approach to the conformational transition in peptide nanorings and nanotubes.

Teranishi M, Okamoto H, Takeda K, Nomura K, Nakano A, Kalia RK, Vashishta P, Shimojo F.

J Phys Chem B. 2009 Feb 5;113(5):1473-84. doi: 10.1021/jp8067975.

PMID:
19133731
37.

Electronic processes in fast thermite chemical reactions: a first-principles molecular dynamics study.

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

Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Jun;77(6 Pt 2):066103. Epub 2008 Jun 5.

PMID:
18643332
38.

Hydrogen desorption from nanostructured graphite: ab initio molecular-dynamics studies.

Harada A, Shimojo F, Hoshino K.

J Phys Condens Matter. 2007 Sep 12;19(36):365209. doi: 10.1088/0953-8984/19/36/365209. Epub 2007 Aug 24.

PMID:
21694155
39.

1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study.

Umezawa N, Kalia RK, Nakano A, Vashista P, Shimojo F.

J Chem Phys. 2007 Jun 21;126(23):234702.

PMID:
17600430
40.

Grain Boundaries in Gallium Arsenide Nanocrystals Under Pressure: A Parallel Molecular-Dynamics Study.

Kodiyalam S, Kalia RK, Kikuchi H, Nakano A, Shimojo F, Vashishta P.

Phys Rev Lett. 2001 Jan 1;86(1):55-58.

PMID:
11136092
41.

Molecular dynamics simulation of structural transformation in silicon carbide under pressure

Shimojo F, Ebbsjo I I, Kalia RK, Nakano A, Rino JP, Vashishta P.

Phys Rev Lett. 2000 Apr 10;84(15):3338-41.

PMID:
11019084
42.

[Case of chronic renal failure with sudden progression of renal dysfunction due to furosemide hypersensitivity].

Kuwata A, Ri S, Shimizu H, Nakano A, Morinaga K, Gesu T, Ueda T, Shirosaki A, Kimura H, Suzuki A, Shimojo F.

Nihon Naika Gakkai Zasshi. 1999 Jan 10;88(1):130-2. Japanese. No abstract available.

PMID:
10341572
43.
44.

Pharmacokinetics and pharmacodynamics of FK143, a nonsteroidal inhibitor of steroid 5 alpha-reductase, in healthy volunteers.

Katashima M, Irino T, Shimojo F, Kawamura A, Kageyama H, Higashi N, Miyao Y, Tokuma Y, Hata T, Yamamoto K, Sawada Y, Iga T.

Clin Pharmacol Ther. 1998 Mar;63(3):354-66.

PMID:
9542479
45.

Osteotropic drug delivery system (ODDS) based on bisphosphonic prodrug. V. Biological disposition and targeting characteristics of osteotropic estradiol.

Fujisaki J, Tokunaga Y, Takahashi T, Kimura S, Shimojo F, Hata T.

Biol Pharm Bull. 1997 Nov;20(11):1183-7.

PMID:
9401729
46.

Studies on anti-inflammatory agents. V. Synthesis and pharmacological properties of 3-(difluoromethyl)-1-(4-methoxyphenyl)-5- [4-(methylsulfinyl)phenyl]pyrazole and related compounds.

Tsuji K, Konishi N, Spears GW, Ogino T, Nakamura K, Tojo T, Ochi T, Shimojo F, Senoh H, Matsuo M.

Chem Pharm Bull (Tokyo). 1997 Sep;45(9):1475-81.

PMID:
9332000
47.

Physicochemical characterization of bisphosphonic carboxyfluorescein for osteotropic drug delivery.

Fujisaki J, Tokunaga Y, Takahashi T, Murata S, Shimojo F, Hata T.

J Pharm Pharmacol. 1996 Aug;48(8):798-800.

PMID:
8887727
48.

Osteotropic drug delivery system (ODDS) based on bisphosphonic prodrug. III: Pharmacokinetics and targeting characteristics of osteotropic carboxyfluorescein.

Fujisaki J, Tokunaga Y, Sawamoto T, Takahashi T, Kimura S, Shimojo F, Hata T.

J Drug Target. 1996;4(2):117-23.

PMID:
8894972
49.

First-principles molecular-dynamics simulation of expanded liquid rubidium.

Shimojo F, Zempo Y, Hoshino K, Watabe M.

Phys Rev B Condens Matter. 1995 Oct 1;52(13):9320-9329. No abstract available.

PMID:
9979976
50.

Osteotropic drug delivery system (ODDS) based on bisphosphonic prodrug. I: synthesis and in vivo characterization of osteotropic carboxyfluorescein.

Fujisaki J, Tokunaga Y, Takahashi T, Hirose T, Shimojo F, Kagayama A, Hata T.

J Drug Target. 1995;3(4):273-82.

PMID:
8821001

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