Academic literature on the topic 'Molecular Dynamics Simulation Molecular dynamics'
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Journal articles on the topic "Molecular Dynamics Simulation Molecular dynamics"
Okumura, Hisashi, Satoru G. Itoh, and Yuko Okamoto. "1P585 Explicit Symplectic Molecular Dynamics Simulation for Rigid-Body Molecules in the Canonical Ensemble(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)." Seibutsu Butsuri 46, supplement2 (2006): S293. http://dx.doi.org/10.2142/biophys.46.s293_1.
Full textSlavgorodska, Maria, and Alexander Kyrychenko. "Structure and Dynamics of Pyrene-Labeled Poly(acrylic acid): Molecular Dynamics Simulation Study." Chemistry & Chemical Technology 14, no. 1 (February 20, 2020): 76–80. http://dx.doi.org/10.23939/chcht14.01.076.
Full textGough, Craig A., Takashi Gojobori, and Tadashi Imanishi. "1P563 Consistent dynamic phenomena in amyloidogenic forms of transthyretin : a molecular dynamics study(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)." Seibutsu Butsuri 46, supplement2 (2006): S287. http://dx.doi.org/10.2142/biophys.46.s287_3.
Full textSHINTO, Hiroyuki. "Molecular Dynamics Simulation." Journal of the Japan Society of Colour Material 86, no. 10 (2013): 380–85. http://dx.doi.org/10.4011/shikizai.86.380.
Full textKrienke, Hartmut. "Molecular dynamics simulation." Journal of Molecular Liquids 75, no. 3 (March 1998): 271–72. http://dx.doi.org/10.1016/s0167-7322(97)00106-2.
Full textRapaport, D. C. "Molecular dynamics simulation." Computing in Science & Engineering 1, no. 1 (1999): 70–71. http://dx.doi.org/10.1109/5992.743625.
Full textSugiyama, Ayumu, Tetsunori Yamamoto, Hidemi Nagao, Keigo Nishikawa, Nobutaka Numoto, Kunio Miki, and Yoshihiro Fukumori. "1P567 Molecular dynamics study of dynamical structure stability of giant hemoglobin from Oligobrachia mashikoi(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)." Seibutsu Butsuri 46, supplement2 (2006): S288. http://dx.doi.org/10.2142/biophys.46.s288_3.
Full textTerada, Tohru, and Kentaro Shimizu. "1P581 Improving efficiency of conformation sampling in multicanonical molecular dynamics simulation(27. Molecular dynamics simulation,Poster Session,Abstract,Meeting Program of EABS & BSJ 2006)." Seibutsu Butsuri 46, supplement2 (2006): S292. http://dx.doi.org/10.2142/biophys.46.s292_1.
Full textAnam, Muhammad Syaekhul, and S. Suwardi. "Hydration Structures and Dynamics of Ga3+ Ion Based on Molecular Mechanics Molecular Dynamics Simulation (Classical DM)." Indonesian Journal of Chemistry and Environment 4, no. 2 (March 10, 2022): 49–56. http://dx.doi.org/10.21831/ijoce.v4i2.48401.
Full textYONEDA, Tomoyuki, Moritaka HIDA, and Akira SAKAKIBARA. "Molecular Dynamics Simulations. Molecular Dynamics Simulation of Ni Crystals under Uniaxial Deformation." Journal of the Society of Materials Science, Japan 46, no. 3 (1997): 228–31. http://dx.doi.org/10.2472/jsms.46.228.
Full textDissertations / Theses on the topic "Molecular Dynamics Simulation Molecular dynamics"
Cai, Qiong. "Hybrid molecular dynamics simulation." Thesis, University of Edinburgh, 2007. http://hdl.handle.net/1842/10849.
Full textSargant, Robert John. "Molecular dynamics simulations of elongated molecules." Thesis, University of Manchester, 2012. https://www.research.manchester.ac.uk/portal/en/theses/molecular-dynamics-simulations-of-elongated-molecules(35c31c02-aa1f-4c87-bab9-db81d813974b).html.
Full textBekker, Hendrik. "Molecular dynamics simulation methods revised." [Groningen] : [Groningen] : Rijksuniversiteit Groningen ; [University Library Groningen] [Host], 1996. http://irs.ub.rug.nl/ppn/14860532X.
Full textDoig, Michael. "Molecular dynamics simulations of surface-active molecules under dynamic conditions found in engines." Thesis, University of Edinburgh, 2013. http://hdl.handle.net/1842/17968.
Full textTarmyshov, Konstantin B. "Molecular dynamics simulations." Phd thesis, [S.l.] : [s.n.], 2007. https://tuprints.ulb.tu-darmstadt.de/787/1/000_pdfsam_PhD_thesis_-_All_-_LinuxPS2PDF.ps.pdf.
Full textBaker, Joseph Lee. "Steered Molecular Dynamics Simulations of Biological Molecules." Diss., The University of Arizona, 2011. http://hdl.handle.net/10150/205416.
Full textWildman, Jack. "Molecular dynamics simulations of conjugated semiconducting molecules." Thesis, Heriot-Watt University, 2017. http://hdl.handle.net/10399/3261.
Full textErnst, Matthew Brian. "Molecular dynamics simulation of DNA lesions." Online access for everyone, 2005. http://www.dissertations.wsu.edu/Thesis/Fall2005/m%5Fernst%5F121305.pdf.
Full textNaser, Md Abu. "Molecular dynamics simulation of protein adsorption." Thesis, Heriot-Watt University, 2008. http://hdl.handle.net/10399/2187.
Full textLu, Lanyuan Berkowitz Max L. "Molecular dynamics simulation of amphiphilic aggregates." Chapel Hill, N.C. : University of North Carolina at Chapel Hill, 2007. http://dc.lib.unc.edu/u?/etd,787.
Full textTitle from electronic title page (viewed Dec. 18, 2007). " ... in partial fulfillment of the requirements for the degree of Doctor of Philosophy in the Department of Chemistry." Discipline: Chemistry; Department/School: Chemistry.
Books on the topic "Molecular Dynamics Simulation Molecular dynamics"
Haile, J. M. Molecular dynamics simulation: Elementary methods. New York: Wiley, 1992.
Find full textYonezawa, Fumiko, ed. Molecular Dynamics Simulations. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84713-4.
Full textThe art of molecular dynamics simulation. 2nd ed. Cambridge, UK: Cambridge University Press, 2004.
Find full textThe art of molecular dynamics simulation. Cambridge: Cambridge University Press, 1995.
Find full textSatō, Akira. Introduction to practice of molecular simulation: Molecular dynamics, Monte Carlo, Brownian dynamics, Lattice Boltzmann, dissipative particle dynamics. Amsterdam: Elsevier, 2011.
Find full textHeinecke, Alexander, Wolfgang Eckhardt, Martin Horsch, and Hans-Joachim Bungartz. Supercomputing for Molecular Dynamics Simulations. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-17148-7.
Full textMassobrio, Carlo, Jincheng Du, Marco Bernasconi, and Philip S. Salmon, eds. Molecular Dynamics Simulations of Disordered Materials. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-15675-0.
Full textKholmurodov, Kholmirzo. Molecular simulation in material and biological research. Hauppauge, NY: Nova Science Publishers, 2009.
Find full textBird, G. A. Molecular gas dynamics and the direct simulation of gas flows. Oxford: Clarendon Press, 1998.
Find full textMolecular gas dynamics and the direct simulation of gas flows. Oxford: Clarendon Press, 1994.
Find full textBook chapters on the topic "Molecular Dynamics Simulation Molecular dynamics"
Heinecke, Alexander, Wolfgang Eckhardt, Martin Horsch, and Hans-Joachim Bungartz. "Molecular Dynamics Simulation." In Supercomputing for Molecular Dynamics Simulations, 11–29. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-17148-7_2.
Full textLi, Zhigang. "Molecular dynamics simulation." In Nanofluidics, 45–78. Boca Raton : Taylor & Francis, a CRC title, part of the Taylor &: CRC Press, 2018. http://dx.doi.org/10.1201/b22007-3.
Full textRaabe, Gabriele. "Molecular Dynamics Simulations." In Molecular Simulation Studies on Thermophysical Properties, 83–113. Singapore: Springer Singapore, 2017. http://dx.doi.org/10.1007/978-981-10-3545-6_4.
Full textFrenkel, D. "Simulation of Sub-molecular and Supra-molecular Fluids." In Molecular Dynamics Simulations, 111–29. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-84713-4_10.
Full textStraatsma, T. P. "NWChem Molecular Dynamics Simulation." In High Performance Computing Systems and Applications, 231–39. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4615-5611-4_21.
Full textXu, Dongyan, and Deyu Li. "Molecular Dynamics Simulation Method." In Encyclopedia of Microfluidics and Nanofluidics, 2290–97. New York, NY: Springer New York, 2015. http://dx.doi.org/10.1007/978-1-4614-5491-5_1052.
Full textXu, Dongyan, and Deyu Li. "Molecular Dynamics Simulation Method." In Encyclopedia of Microfluidics and Nanofluidics, 1–10. Boston, MA: Springer US, 2014. http://dx.doi.org/10.1007/978-3-642-27758-0_1052-2.
Full textTildesley, D. J. "The Molecular Dynamics Method." In Computer Simulation in Chemical Physics, 23–47. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1679-4_2.
Full textGalli, G., and A. Pasquarello. "First-principles Molecular Dynamics." In Computer Simulation in Chemical Physics, 261–313. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1679-4_8.
Full textTurner, James, Paul K. Weiner, Barry Robson, Ravi Venugopal, Harry Schubele, and Ramen Singh. "Reduced variable molecular dynamics." In Computer Simulation of Biomolecular Systems, 122–49. Dordrecht: Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-017-1120-3_4.
Full textConference papers on the topic "Molecular Dynamics Simulation Molecular dynamics"
Tagaya, Yoichi, Yasunaga Mitsuya, Susumu Ogata, Hedong Zhang, and Kenji Fukuzawa. "A Simulation Method for Spreading Dynamics of Molecularly Thin Lubricant Films on Magnetic Disks Using Bead-Spring Model." In World Tribology Congress III. ASMEDC, 2005. http://dx.doi.org/10.1115/wtc2005-64393.
Full textTakagi, Shu, Gota Kikugawa, and Yoichiro Matsumoto. "Molecular Dynamics Simulation of Nanobubbles." In ASME/JSME 2003 4th Joint Fluids Summer Engineering Conference. ASMEDC, 2003. http://dx.doi.org/10.1115/fedsm2003-45675.
Full textMatsumoto, D. "Quantum Molecular Dynamics Simulation of Guest Molecules in Gas Hydrate." In SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems. AIP, 2004. http://dx.doi.org/10.1063/1.1764312.
Full textKoda, Tomonori. "Molecular dynamics simulation of mixtures of hard rod-like molecules." In SLOW DYNAMICS IN COMPLEX SYSTEMS: 3rd International Symposium on Slow Dynamics in Complex Systems. AIP, 2004. http://dx.doi.org/10.1063/1.1764099.
Full textDarbandi, Masoud, Hossein Reza Abbasi, Moslem Sabouri, and Rasool Khaledi-Alidusti. "Simulation of Heat Transfer in Nanoscale Flow Using Molecular Dynamics." In ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels collocated with 3rd Joint US-European Fluids Engineering Summer Meeting. ASMEDC, 2010. http://dx.doi.org/10.1115/fedsm-icnmm2010-31065.
Full textTakeuchi, Hideki, Kyoji Yamamoto, Toru Hyakutake, and Takashi Abe. "Molecular Dynamics Simulation of Reflected Gas Molecules on Water Adsorbed Surface." In RARIFIED GAS DYNAMICS: Proceedings of the 26th International Symposium on Rarified Gas Dynamics. AIP, 2008. http://dx.doi.org/10.1063/1.3076560.
Full textMareschal, Michel, Andrei Popruga, Joaquín Marro, Pedro L. Garrido, and Pablo I. Hurtado. "Molecular ordering at an interface by molecular dynamics." In MODELING AND SIMULATION OF NEW MATERIALS: Proceedings of Modeling and Simulation of New Materials: Tenth Granada Lectures. AIP, 2009. http://dx.doi.org/10.1063/1.3082272.
Full textAksenova, O. A., and I. A. Khalidov. "Molecular Dynamics Simulation of Gas Molecules Reflected from Rough Surface." In 27TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS. AIP, 2011. http://dx.doi.org/10.1063/1.3562687.
Full textTerrell, Elon J., Eric Landry, Alan McGaughey, and C. Fred Higgs. "Molecular Dynamics Simulation of Nanoindentation." In STLE/ASME 2008 International Joint Tribology Conference. ASMEDC, 2008. http://dx.doi.org/10.1115/ijtc2008-71287.
Full textKharlamov, Georgy V., Andrey A. Onischuk, Piotr A. Purtov, Sergey V. Vosel, and Alexey V. Bolesta. "Molecular dynamics simulation of nanodrops." In 2009 International Conference and Seminar on Micro/Nanotechnologies and Electron Devices (EDM). IEEE, 2009. http://dx.doi.org/10.1109/edm.2009.5173932.
Full textReports on the topic "Molecular Dynamics Simulation Molecular dynamics"
THOMPSON, AIDAN P. Molecular Dynamics Simulation of Polymer Dissolution. Office of Scientific and Technical Information (OSTI), February 2003. http://dx.doi.org/10.2172/808631.
Full textMountain, Raymond D., and Joseph Hubbard. Molecular dynamics simulation of tethered chains. Gaithersburg, MD: National Institute of Standards and Technology, 1998. http://dx.doi.org/10.6028/nist.ir.6150.
Full textMicci, Michael M. Molecular Dynamics Simulation of Supercritical Spray Phenomena. Fort Belvoir, VA: Defense Technical Information Center, September 2008. http://dx.doi.org/10.21236/ada492151.
Full textGu, Wei, and B. P. Schoenborn. Molecular dynamics simulation of hydration in myoglobin. Office of Scientific and Technical Information (OSTI), September 1995. http://dx.doi.org/10.2172/104441.
Full textMoyers, Aidan, Derek Davies, Michael Becker, and Desiderio Kovar. Molecular dynamics simulation of yttria (Y2O3) nanoparticle impacts. Office of Scientific and Technical Information (OSTI), February 2022. http://dx.doi.org/10.2172/1846111.
Full textKress, Joel D., Lee A. Collins, Leonid Burakovsky, Stuart D. Herring, Christopher Ticknor, and Scott Crockett. Simulations as Data: Quantum Molecular Dynamics. Office of Scientific and Technical Information (OSTI), October 2012. http://dx.doi.org/10.2172/1052783.
Full textBarros, Kipton Marcos. Advances in machine learned potentials for molecular dynamics simulation. Office of Scientific and Technical Information (OSTI), October 2018. http://dx.doi.org/10.2172/1477636.
Full textHammerberg, J. E., B. L. Holian, M. S. Murillo, and D. Winske. Molecular dynamics simulations of dipolar dusty plasmas. Office of Scientific and Technical Information (OSTI), December 1998. http://dx.doi.org/10.2172/307953.
Full textWong, C. C., A. R. Lopez, M. J. Stevens, and S. J. Plimpton. Molecular dynamics simulations of microscale fluid transport. Office of Scientific and Technical Information (OSTI), February 1998. http://dx.doi.org/10.2172/574190.
Full textWirth, B. D., M. J. Caturla, and Diaz de la Rubia, T. Modeling and Computer Simulation: Molecular Dynamics and Kinetic Monte Carlo. Office of Scientific and Technical Information (OSTI), October 2000. http://dx.doi.org/10.2172/792741.
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