Littérature scientifique sur le sujet « Force field developent »
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Articles de revues sur le sujet "Force field developent"
Sikka, Anmol, Ian DesJardin, Thomas Leps et Christine Hartzell. « Development of an Empirical Model of the Force between Paramagnetic Particles in Uniform Magnetic Field on M-type Asteroids ». Planetary Science Journal 4, no 7 (1 juillet 2023) : 129. http://dx.doi.org/10.3847/psj/ace323.
Texte intégralYamamoto, Tatsuya, et Yasuhiro Sugawara. « Development of low-temperature and ultrahigh-vacuum photoinduced force microscopy ». Review of Scientific Instruments 94, no 3 (1 mars 2023) : 033702. http://dx.doi.org/10.1063/5.0132166.
Texte intégralFiorillo, Luca, Marco Cicciù, Cesare D’Amico, Rodolfo Mauceri, Giacomo Oteri et Gabriele Cervino. « Finite Element Method and Von Mises Investigation on Bone Response to Dynamic Stress with a Novel Conical Dental Implant Connection ». BioMed Research International 2020 (8 octobre 2020) : 1–13. http://dx.doi.org/10.1155/2020/2976067.
Texte intégralKimura, Toshitaka, et Hiroaki Gomi. « Temporal Development of Anticipatory Reflex Modulation to Dynamical Interactions During Arm Movement ». Journal of Neurophysiology 102, no 4 (octobre 2009) : 2220–31. http://dx.doi.org/10.1152/jn.90907.2008.
Texte intégralIwaoka, M., et D. Yosida. « Development and evaluation of the single amino acid potential force field (SAAP force field) ». Seibutsu Butsuri 43, supplement (2003) : S52. http://dx.doi.org/10.2142/biophys.43.s52_2.
Texte intégralKrämer-Fuhrmann, Ottmar, Jens Neisius, Niklas Gehlen, Dirk Reith et Karl N. Kirschner. « Wolf2Pack – Portal Based Atomistic Force-Field Development ». Journal of Chemical Information and Modeling 53, no 4 (21 mars 2013) : 802–8. http://dx.doi.org/10.1021/ci300290g.
Texte intégralLyubartsev, Alexander P., et Alexander L. Rabinovich. « Force Field Development for Lipid Membrane Simulations ». Biochimica et Biophysica Acta (BBA) - Biomembranes 1858, no 10 (octobre 2016) : 2483–97. http://dx.doi.org/10.1016/j.bbamem.2015.12.033.
Texte intégralLiivat, Anti, Alvo Aabloo et John O. Thomas. « Development of a force field for Li2SiF6 ». Journal of Computational Chemistry 26, no 7 (2005) : 716–24. http://dx.doi.org/10.1002/jcc.20209.
Texte intégralAbel, Stéphane, François-Yves Dupradeau, Beatrice de Foresta et Massimo Marchi. « Development of a Force Field Topology Database for Detergents for Molecular Dynamics Simulations with the Amber Force Fields ». Biophysical Journal 102, no 3 (janvier 2012) : 395a—396a. http://dx.doi.org/10.1016/j.bpj.2011.11.2161.
Texte intégralNISTORESCU, Claudiu Valer. « NEW CHALLENGES REGARDING THE DEVELOPMENT AND CONFIGURATION OF THE ARMORED CAPABILITIES ». STRATEGIES XXI - Command and Staff College 17, no 1 (23 juillet 2021) : 37–47. http://dx.doi.org/10.53477/2668-2028-21-03.
Texte intégralThèses sur le sujet "Force field developent"
Porwal, Vishal Kumar. « Theoretical Tools to Study Solvation in Liquid and Nanoconfined Phases ». Electronic Thesis or Diss., Université de Lorraine, 2022. http://www.theses.fr/2022LORR0239.
Texte intégralConfinement on a molecular scale is one of the most fascinating and complexfields in continuous progress. Once rationalized, the consequences of confinement on themolecular and electronic structure of chromophores can be used to fine-tune their optical properties and thus exploit them in the development of photochemical technologies. In material chemistry, untangling the complex nature of nanoconfined phases can help provide essential knowledge to fine-tune the synthesis of new compounds with versatile properties. This project is devoted to the development of ad hoc computational strategies to achieve a molecular interpretation of the impact of the environment on the conformational, vibrational, and optical properties of organic molecules. In collaboration with an experimental group, we analyzed the behavior of organic anions confined in the interlayer of clay like materials. Focusing on the evolution of the carboxylate bands with increasing hydration, we characterized the changes in the binding modes of the anion by using classical molecular dynamics simulations. The second part of the project, carried out with Italian collaborators, is based on an integrated multilevel approach providing a sophisticated force field for 2,2’-bipyridine-3,3’-diol. This molecule undergoes excited state intramolecular proton transfer, and experimental data point to a fine sensitivity of its properties to a nanoconfined environment. Our study of the potential energy surface and the absorption spectrum in water using a sequential classical-quantum mechanical approach brought significant progress in the characterization of the tautomeric equilibria and their effect on the optical properties of the chromophore
Razavi, Seyed Mostafa. « CROSS-PLATFORM FORCE FIELD DEVELOPMENT BASED ON FORCE-SMOOTHED POTENTIAL MODELS ». University of Akron / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=akron1590770530909963.
Texte intégralDURHAM, PHILIP R. « Force Field Development for Calbindin D9k ». University of Cincinnati / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1218547540.
Texte intégralZollars, Eric Stafford Pierce Niles A. « Force field development in protein design / ». Diss., Pasadena, Calif. : Caltech, 2006. http://resolver.caltech.edu/CaltechETD:etd-06052006-155305.
Texte intégralLi, Xinbi. « Developing and Validating a Complete Second-order Polarizable Force Field for Proteins ». Digital WPI, 2015. https://digitalcommons.wpi.edu/etd-dissertations/196.
Texte intégralSA, QINA. « Developing the Polarizable Force Field : Focus on Amino Acid Residues ». Digital WPI, 2011. https://digitalcommons.wpi.edu/etd-theses/1010.
Texte intégralIsegawa, Miho. « Development of polarizable force field with charge response kernel ». 京都大学 (Kyoto University), 2009. http://hdl.handle.net/2433/126573.
Texte intégralJiao, Yuanfang. « The development of accurate force fields for protein simulation ». Diss., Kansas State University, 2012. http://hdl.handle.net/2097/13946.
Texte intégralDepartment of Chemistry
Paul E. Smith
Computer simulations have provided a wealth of information concerning a wide range of systems. The precision of computer simulation results depends on the degree of sampling (time scales) achieved, while the accuracy of the results (given sufficient sampling) depends on the quality of force field used. A force field provides a description of the energy for a system of interest. Recently, we have been developing a Kirkwood Buff (KB) force field for molecular dynamics simulations of biological systems. This force field is based on the KB Theory of solutions, emphasizing the accurate description of intermolecular interactions, and reasonably reproducing a range of other physical properties from experiment. In this approach simulation results in terms of KB integrals can be directly compared with experimental data through a KB analysis of the solution properties. The approach therefore provides a simple and clear method to test the capability of a force field. Here we firstly studied a series of alcohol-water mixtures in an attempt to validate the transferability and additivity of the force field. A general fluctuation theory was applied to investigate the properties of these systems, and to compare with computer simulation results. The possible effects of cosolvents on peptides and proteins were then investigated using N-methylacetamide as model for the peptide backbone and urea as cosolvent. A possible explanation for the urea denaturation of protein structure was provided using a thermodynamics point of view involving transfer free energies and preferential interactions obtained from the KB integrals. Finally, potentials for protein backbone and sidechain torsions were developed by fitting to quantum mechanical calculations and NMR data. Simulations of a variety of peptides and proteins in aqueous solutions were then performed to demonstrate the overall reliability of the force field.
Morley, S. David. « The development of the COSMIC force field for biomolecular applications ». Thesis, University of Nottingham, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.335404.
Texte intégralSharma, Ity. « Developing and validating Fuzzy-Border continuum solvation model with POlarizable Simulations Second order Interaction Model (POSSIM) force field for proteins ». Digital WPI, 2015. https://digitalcommons.wpi.edu/etd-dissertations/393.
Texte intégralLivres sur le sujet "Force field developent"
Khabriyeva, Taliya, Igor' Shuvalov, Anatoliy Kapustin, Nelli Bevelikova, Rashad Kurbanov, Olga Shvedkova, Asiya Belyalova et al. ASEAN is a driving force for regional integration in Asia. ru : INFRA-M Academic Publishing LLC., 2016. http://dx.doi.org/10.12737/23222.
Texte intégralWolfgang, Fleischer. Heavy 24 cm Cannon development and action, 1916-1945. Atglen, PA : Schiffer Pub., 1998.
Trouver le texte intégralZheltov, Maksim. Tunisian Revolution : prerequisites, features, legal grounds. ru : INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1840175.
Texte intégralShah, Sachin D. Development of a geodatabase and conceptual model of the hydrogeologic units beneath Air Force Plant 4 and Naval Air Station-Joint Reserve Base Carswell Field, Fort Worth, Texas. Austin, Tex : U.S. Dept. of the Interior, U.S. Geological Survey, 2004.
Trouver le texte intégralA new force at a new frontier : Europe's development in the space field in the light of its main actors, policies, law, and activities from its beginnings up to the present. Cambridge : Cambridge University Press, 1997.
Trouver le texte intégralCevelev, Aleksandr. Strategic development of railway transport logistics. ru : INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1194747.
Texte intégralMintyagov, Stanislav, Valeriy Kalashnikov et Vladimir Mironov. Law enforcement activities of the Military Police of the Armed Forces of the Russian Federation. ru : INFRA-M Academic Publishing LLC., 2023. http://dx.doi.org/10.12737/2030734.
Texte intégralSapogova, Elena. Developmental psychology and age psychology. ru : INFRA-M Academic Publishing LLC., 2022. http://dx.doi.org/10.12737/997107.
Texte intégralIsmailov, Nariman. Globalism and ecophilosophy of the future. ru : INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1212905.
Texte intégralGadzhiev, Nazirhan, Sergey Konovalenko et Mihail Trofimov. Theoretical aspects of the formation and development of the ecological economy in Russia. ru : INFRA-M Academic Publishing LLC., 2022. http://dx.doi.org/10.12737/1836240.
Texte intégralChapitres de livres sur le sujet "Force field developent"
Molinari, Marco, Andrey V. Brukhno, Stephen C. Parker et Dino Spagnoli. « Force Field Application and Development ». Dans Molecular Modeling of Geochemical Reactions, 33–75. Chichester, UK : John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118845226.ch2.
Texte intégralWang, Lee-Ping. « Force Field Development and Nanoreactor Chemistry ». Dans Computational Approaches for Chemistry Under Extreme Conditions, 127–59. Cham : Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-05600-1_6.
Texte intégralGasper, Des. « Development Ethics — An Emergent Field ? » Dans Market Forces and World Development, 160–85. London : Palgrave Macmillan UK, 1994. http://dx.doi.org/10.1007/978-1-349-23138-6_9.
Texte intégralZakirov, S. N., et Korotaev Yu. P. « Forced Development of Gas Fields ». Dans Energy Reviews : Unified Gas Supply System of the USSR, 155–72. London : Routledge, 2023. http://dx.doi.org/10.4324/9781003391852-4.
Texte intégralDurier, V., F. Tristram et G. Vergoten. « Molecular Force Field Development for Saccharides Using the Spasiba Spectroscopic Potential. Force Field Parameters for Glucose ». Dans Spectroscopy of Biological Molecules, 435. Dordrecht : Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0371-8_199.
Texte intégralde Andrade, Jones, Elvis S. Böes et Hubert Stassen. « Force Field Development and Liquid State Simulations on Ionic Liquids ». Dans ACS Symposium Series, 118–33. Washington, DC : American Chemical Society, 2005. http://dx.doi.org/10.1021/bk-2005-0901.ch009.
Texte intégralLei, Zhanxiang, Jian Liu, Jian Li, Likun Xu, Lihong Fan, Yunbo Li et Zhaopeng Yang. « Driving Force Analysis of Sandstone Reservoirs with Strong Natural Aquifer ». Dans Proceedings of the International Field Exploration and Development Conference 2018, 695–704. Singapore : Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-13-7127-1_64.
Texte intégralTschampel, Sarah M., Karl N. Kirschner et Robert J. Woods. « Incorporation of Carbohydrates into Macromolecular Force Fields : Development and Validation ». Dans ACS Symposium Series, 235–57. Washington, DC : American Chemical Society, 2006. http://dx.doi.org/10.1021/bk-2006-0930.ch013.
Texte intégralRasmussen, K. J., S. B. Engelsen, J. Fabricius et B. Rasmussen. « The Consistent Force Field : Development of Potential Energy Functions for Conformational Analysis ». Dans Recent Experimental and Computational Advances in Molecular Spectroscopy, 381–419. Dordrecht : Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-1974-0_22.
Texte intégralShin, Yun Kyung, Chowdhury M. Ashraf et Adri C. T. van Duin. « Development and Applications of the ReaxFF Reactive Force Field for Biological Systems ». Dans Computational Materials, Chemistry, and Biochemistry : From Bold Initiatives to the Last Mile, 157–82. Cham : Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-18778-1_9.
Texte intégralActes de conférences sur le sujet "Force field developent"
Johnson, K., C. Creager, A. Izadnegahdar, S. Bauman, C. Gallo et P. Abel. « Development of Field Excavator with Embedded Force Measurement ». Dans Thirteenth ASCE Aerospace Division Conference on Engineering, Science, Construction, and Operations in Challenging Environments, and the 5th NASA/ASCE Workshop On Granular Materials in Space Exploration. Reston, VA : American Society of Civil Engineers, 2012. http://dx.doi.org/10.1061/9780784412190.040.
Texte intégralWang, Aijun, Pushpendra Singh et Nadine Aubry. « Direct Simulation of Electrorheological Suspensions ». Dans ASME 2001 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2001. http://dx.doi.org/10.1115/imece2001/fed-24923.
Texte intégralShneerson, German A., Oleg S. Koltunov, Alexander N. Berezkin, Ivan A. Vecherov, Sergey I. Krivosheev, Alexey P. Nenashev et Anatoliy A. Parfentiev. « Development and investigation of one-layer quasi-force-free magnets ». Dans 2012 14th International Conference on Megagauss Magnetic Field Generation and Related Topics (MEGAGAUSS). IEEE, 2012. http://dx.doi.org/10.1109/megagauss.2012.6781417.
Texte intégralSundaram, B. Arun, Voggu Srinivas, S. Parivallal et Saptarshi Sasmal. « Evaluation of longitudinal forces on substructure of railway bridges due to increased axle loading and speed through full scale field investigations ». Dans IABSE Congress, New Delhi 2023 : Engineering for Sustainable Development. Zurich, Switzerland : International Association for Bridge and Structural Engineering (IABSE), 2023. http://dx.doi.org/10.2749/newdelhi.2023.1513.
Texte intégral« Developing an accurate force field for simulating modified RNA ». Dans Bioinformatics of Genome Regulation and Structure/Systems Biology (BGRS/SB-2022) :. Institute of Cytology and Genetics, the Siberian Branch of the Russian Academy of Sciences, 2022. http://dx.doi.org/10.18699/sbb-2022-194.
Texte intégralNaaijen, P., et R. H. M. Huijsmans. « Real Time Prediction of Second Order Wave Drift Forces for Wave Force Feed Forward in DP ». Dans ASME 2010 29th International Conference on Ocean, Offshore and Arctic Engineering. ASMEDC, 2010. http://dx.doi.org/10.1115/omae2010-20618.
Texte intégralWaldorf, Daniel J., Richard E. DeVor et Shiv G. Kapoor. « A Slip-Line Field for Ploughing During Orthogonal Cutting ». Dans ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-1133.
Texte intégralStulp, Freek, Jonas Buchli, Alice Ellmer, Michael Mistry, Evangelos Theodorou et Stefan Schaal. « Reinforcement learning of impedance control in stochastic force fields ». Dans 2011 IEEE International Conference on Development and Learning (ICDL). IEEE, 2011. http://dx.doi.org/10.1109/devlrn.2011.6037312.
Texte intégralO’Dea, Murphy Leo, et Laila Guessous. « Development of an Advanced Wind Turbine Actuator Line Model ». Dans ASME 2018 5th Joint US-European Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/fedsm2018-83173.
Texte intégralJASINSKAS, Algirdas, Ramūnas MIELDAŽYS, Juozas PEKARSKAS, Sigitas ČEKANAUSKAS, Antonin MACHALEK et Jiri SOUČEK. « THE ASSESSMENT OF ORGANIC AND NATURAL MAGNESIUM MINERAL FERTILIZERS GRANULATION AND THE DETERMINATION OF PRODUCED PELLET PROPERTIES ». Dans RURAL DEVELOPMENT. Aleksandras Stulginskis University, 2018. http://dx.doi.org/10.15544/rd.2017.040.
Texte intégralRapports d'organisations sur le sujet "Force field developent"
Pandey, Anup. Adaptive machine-learned force field development for high entropy alloy studies. Office of Scientific and Technical Information (OSTI), mai 2022. http://dx.doi.org/10.2172/1868213.
Texte intégralLaw, Edward, Samuel Gan-Mor, Hazel Wetzstein et Dan Eisikowitch. Electrostatic Processes Underlying Natural and Mechanized Transfer of Pollen. United States Department of Agriculture, mai 1998. http://dx.doi.org/10.32747/1998.7613035.bard.
Texte intégralLeis et Francini. L51832 Line Pipe Resistance to Outside Force. Chantilly, Virginia : Pipeline Research Council International, Inc. (PRCI), novembre 1999. http://dx.doi.org/10.55274/r0010143.
Texte intégralStulen. L51628 A Transient Far-Field Model of the Acoustic Emission in Buried Pipelines. Chantilly, Virginia : Pipeline Research Council International, Inc. (PRCI), janvier 1986. http://dx.doi.org/10.55274/r0011317.
Texte intégralMartin, Marcus G., Edward J. Maginn, Robin D. Rogers, Greg Voth et Mark S. Gordon. Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction. Fort Belvoir, VA : Defense Technical Information Center, juillet 2008. http://dx.doi.org/10.21236/ada485626.
Texte intégralFloyd, Webster, Kyle Dunsford, Andrew Groeneveld et Kyle Klaus. Finite element, petrographic, and mechanical analyses of field-cored concrete fairlead beam anchor rods from Luke Air Force Base. Engineer Research and Development Center (U.S.), mai 2024. http://dx.doi.org/10.21079/11681/48591.
Texte intégralNicholson, Nigel R., Gerard N. Deignan et Edwin R. Smootz. Remotely Piloted Vehicle (Aquila) Force Development Test and Experimentation. (FDTE) : Army Research Institute Fort Hood Field Unit Evaluation (1987). Fort Belvoir, VA : Defense Technical Information Center, février 1988. http://dx.doi.org/10.21236/ada396431.
Texte intégralBoris Merinov, Adri van Duin, Sossina Haile et William A. Goddard III. DEVELOPING FIRST-PRINCIPLES REACTIVE FORCE FIELDS AND DENSIFICATION PROCESS FOR Y-DOPED BaZrO3 PROTON-CONDUCTING CERAMICS. Office of Scientific and Technical Information (OSTI), avril 2004. http://dx.doi.org/10.2172/833849.
Texte intégralKrabill, Eleanor, Vivienne Zhang, Eric Lepowsky, Christoph Wirz, Alexander Glaser, Jaewoo Shin, Veronika Bedenko et Pavel Podvig. Menzingen Verification Experiment - Verifying the Absence of Nuclear Weapons in the Field. Sous la direction de Pavel Podvig. The United Nations Institute for Disarmament Research, juillet 2023. http://dx.doi.org/10.37559/wmd/23/mve.
Texte intégralPinchuk, O. P., et A. A. Prokopenko. Model of a computer-orient-ed methodological system for the development of digital competence of officers of the military administration of the Armed Forces of Ukraine in the system of qualification improvement. Національна академія Державної прикордонної служби України імені Б. Хмельницького, 2023. http://dx.doi.org/10.33407/lib.naes.736836.
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