Hiroshima Institute of Technology

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OHMURA Satoshi

Profile Research field Research achievement

 

Reports
No.Title URL, Journal, Vol( No), Start Page- End Page, Publication date 
1
Modelling of nonequilibrium chemo-electronic conversion of water adsorption on the surface of yttria-stabilized zirconia: Experimental preparation and problem overview , Computer Design for New Drugs and Materials: Molecular Dynamics of Nanoscale Phenomena, ,  173- 188, Jan. 1, 2017 

 

Academic papers
No.Title URL, Journal, Vol( No), Start Page- End Page, Publication date, DOI 
1
Liquid Structure of Tantalum under Internal Negative Pressure , Physical Review Letters, 126,  175503- 175503-6, Apr. 2021, https://doi.org/10.1103/PhysRevLett.126.175503 
2
Dissociation mechanism from highly charged bromophenol: Ab initio molecular dynamics simulations , , 235,  169- 187, Feb. 2021, https://doi.org/10.1515/zpch-2020-1634 
3
Atomic Motion in Liquid --Properties of Covalent Liquid under High Pressure Conditions , , 74( 9), 621- 626, Sep. 2019,  
4
Selective Reduction Mechanism of Graphene Oxide Driven by the Photon Mode versus the Thermal Mode , ACS NANO, 13( 9), 10103- 10112, Sep. 2019, 10.1021/acsnano.9b03060 
5
QXMD: An open-source program for nonadiabatic quantum molecular dynamics , SoftwareX, 10,  100307- 100307-5, Jul. 2019, 10.1016/j.softx.2019.100307 
6
Structural change in liquid sulphur from chain polymeric liquid to atomic simple liquid under high pressure , Journal of Physics: Condensed Matter, 31( 21), 215101- 215101-9, Mar. 2019, 10.1088/1361-648x/ab0a35 
7
Femtosecond charge and molecular dynamics of I-containing organic molecules induced by intense X-ray free-electron laser pulses , Faraday Discussions, 194,  537- 562, Oct. 2016, 10.1039/c6fd00085a 
8
Ultrafast dynamics of a nucleobase analogue illuminated by a short intense x-ray free electron laser pulse , Physical Review X, 6,  021035- 021035-9, Jun. 2016, 10.1103/PhysRevX.6.021035 
9
Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations , Journal of Physics Condensed Matter, 28,  145001- 145001-11, Mar. 2016, 10.1088/0953-8984/28/14/145001 
10
Crystalline anisotropy of shock-induced phenomena: Omni-directional multiscale shock technique , Applied Physics Letters, 108,  071901- 071901-5, Feb. 2016, 10.1063/1.4942191 
11
Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule , AIP Advances, 6,  015305- 015305-7, Jan. 2016, 10.1063/1.4939848 
12
Intermolecular correlations of racemic mixtures - Comparison between liquid S<inf>2</inf>Cl<inf>2</inf>and Se<inf>2</inf>Br<inf>2</inf> , Molecular Physics, 114,  297- 303, Jan. 2016, 10.1080/00268976.2015.1100345 
13
Structural changes of short- and intermediate-range order in liquid arsenic under pressure , Journal of the Physical Society of Japan, 84,  094602- 094602-6, Sep. 2015, 10.7566/JPSJ.84.094602 
14
Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations , AIP Conference Proceedings, 1673,  020006- 020006, Aug. 2015, 10.1063/1.4928260 
15
Charge and Nuclear Dynamics Induced by Deep Inner-Shell Multiphoton Ionization of CH<inf>3</inf>I Molecules by Intense X-ray Free-Electron Laser Pulses , Journal of Physical Chemistry Letters, 6,  2944- 2949, Aug. 2015, 10.1021/acs.jpclett.5b01205 
16
Structural properties of Fe<inf>2</inf>O<inf>3</inf>at high temperatures , Journal of the Physical Society of Japan, 83,  105002- 105002-2, Oct. 2014, 10.7566/JPSJ.83.105002 
17
Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study , Solid State Ionics, 262,  908- 910, Sep. 2014, 10.1016/j.ssi.2013.12.025 
18
Charge migration and molecular dissociation following multiphoton multiple ionization of iodine-substitute molecules by X-Ray free-electron laser pulses from SACLA , Optics InfoBase Conference Papers, ,  09.Wed.D.5- 09.Wed.D.5, Jul. 2014,  
19
Ab initio molecular-dynamics study of dissociation mechanism of highly charged molecules , Journal of Physics: Conference Series, 510,  012039- 012039-8, May. 2014, 10.1088/1742-6596/510/1/012039 
20
A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations , Journal of Chemical Physics, 140,  18A529- 18A529-14, May. 2014, 10.1063/1.4869342 
21
Ab initio molecular-dynamics study of nonequilibrium phenomena in disordered materials , Models in Bioscience and Materials Research: Molecular Dynamics and Related Techniques, ,  1- 12, Dec. 2013,  
22
Dynamic asymmetry of self-diffusion in liquid ZnCl<inf>2</inf>under pressure: An ab initio molecular-dynamics study , Journal of Chemical Physics, 138,  134504- 134504-7, Apr. 2013, 10.1063/1.4798376 
23
Ab Initio molecular dynamics study of disordered materials , Molecular Dynamics of Nanobiostructures, ,  115- 130, Jan. 1, 2013,  
24
Large nonadiabatic quantum molecular dynamics simulations on parallel computers , Computer Physics Communications, 184,  1- 8, Jan. 2013, 10.1016/j.cpc.2012.08.001 
25
Molecular-dynamics study of void-formation inside silicon wafers in stealth dicing , Journal of Physics: Conference Series, 402,  012044- 012044-9, Dec. 2012, 10.1088/1742-6596/402/1/012044 
26
Enhanced charge transfer by phenyl groups at a rubrene/C<inf>60</inf>interface , Journal of Chemical Physics, 136,  184705- 184705-6, May. 2012, 10.1063/1.4712616 
27
Molecular control of photoexcited charge transfer and recombination at a quaterthiophene/zinc oxide interface , Applied Physics Letters, 100,  203306- 203306-5, May. 2012, 10.1063/1.4719206 
28
Ab initio molecular dynamics study of diffusion mechanism in liquid B<inf>2</inf>O<inf>3</inf>under pressure , Journal of Physics: Conference Series, 402,  012012- 012012-7, Jan. 2012, 10.1088/1742-6596/402/1/012012 
29
Effects of solvation shells and cluster size on the reaction of aluminum clusters with water , AIP Advances, 1,  042149- 042149-13, Dec. 2011, 10.1063/1.3664751 
30
Polymerization transition in liquid AsS under pressure: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 84,  224202- 224202-7, Dec. 2011, 10.1103/PhysRevB.84.224202 
31
Reaction of aluminum clusters with water , Journal of Chemical Physics, 134,  244702- 244702-8, Jun. 2011, 10.1063/1.3602326 
32
Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory , European Physical Journal: Special Topics, 196,  53- 63, May. 2011, 10.1140/epjst/e2011-01418-y 
33
Ab initio molecular dynamics study of the metallization of liquid selenium under pressure , Physical Review B - Condensed Matter and Materials Physics, 83,  134206- 134206-7, Apr. 2011, 10.1103/PhysRevB.83.134206 
34
Ab initio molecular-dynamics study of structural and electronic properties of liquid MgSiO<inf>3</inf>under pressure , EPJ Web of Conferences, 15,  02004- 02004-4, Mar. 2011, 10.1051/epjconf/20111502004 
35
Atomistic mechanisms of rapid energy transport in light-harvesting molecules , Applied Physics Letters, 98,  113302- 113302-3, Mar. 2011, 10.1063/1.3565962 
36
Atomic diffusion in covalent liquids under pressure from ab initio molecular dynamics , EPJ Web of Conferences, 15,  02003- 02003-4, Jan. 2011, 10.1051/epjconf/20111502003 
37
Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory , EPJ Web of Conferences, 15,  03005- 03005-6, 2011, 10.1051/epjconf/20111503005 
38
Molecular dynamics simulations of rapid hydrogen production from water using aluminum clusters as catalyzers , Physical Review Letters, 104,  126102- 126102-4, Mar. 2010, 10.1103/PhysRevLett.104.126102 
39
Ab initio molecular-dynamics study of structural, bonding, and dynamic properties of liquid B2 O3 under pressure , Physical Review B - Condensed Matter and Materials Physics, 81,  014208- 014208-8, Jan. 2010, 10.1103/PhysRevB.81.014208 
40
Anomalous pressure dependence of self-diffusion in liquid B2 O3: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 80,  020202 (R)- 020202 (R)-4, Aug. 2009, 10.1103/PhysRevB.80.020202 
41
Ab initio molecular-dynamics study of intermolecular correlations in liquid Se0:5Cl0:5 , Journal of the Physical Society of Japan, 78,  074601- 074601-6, Jul. 2009, 10.1143/JPSJ.78.074601 
42
Mechanism of atomic diffusion in liquid B<inf>2</inf>O<inf>3</inf>: An ab initio molecular dynamics study , Physical Review B - Condensed Matter and Materials Physics, 78,  224206- 224206-6, Dec. 2008, 10.1103/PhysRevB.78.224206