Literatura científica selecionada sobre o tema "Force field developent"
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Artigos de revistas sobre o assunto "Force field developent"
Sikka, Anmol, Ian DesJardin, Thomas Leps e 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, n.º 7 (1 de julho de 2023): 129. http://dx.doi.org/10.3847/psj/ace323.
Texto completo da fonteYamamoto, Tatsuya, e Yasuhiro Sugawara. "Development of low-temperature and ultrahigh-vacuum photoinduced force microscopy". Review of Scientific Instruments 94, n.º 3 (1 de março de 2023): 033702. http://dx.doi.org/10.1063/5.0132166.
Texto completo da fonteFiorillo, Luca, Marco Cicciù, Cesare D’Amico, Rodolfo Mauceri, Giacomo Oteri e 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 de outubro de 2020): 1–13. http://dx.doi.org/10.1155/2020/2976067.
Texto completo da fonteKimura, Toshitaka, e Hiroaki Gomi. "Temporal Development of Anticipatory Reflex Modulation to Dynamical Interactions During Arm Movement". Journal of Neurophysiology 102, n.º 4 (outubro de 2009): 2220–31. http://dx.doi.org/10.1152/jn.90907.2008.
Texto completo da fonteIwaoka, M., e 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.
Texto completo da fonteKrämer-Fuhrmann, Ottmar, Jens Neisius, Niklas Gehlen, Dirk Reith e Karl N. Kirschner. "Wolf2Pack – Portal Based Atomistic Force-Field Development". Journal of Chemical Information and Modeling 53, n.º 4 (21 de março de 2013): 802–8. http://dx.doi.org/10.1021/ci300290g.
Texto completo da fonteLyubartsev, Alexander P., e Alexander L. Rabinovich. "Force Field Development for Lipid Membrane Simulations". Biochimica et Biophysica Acta (BBA) - Biomembranes 1858, n.º 10 (outubro de 2016): 2483–97. http://dx.doi.org/10.1016/j.bbamem.2015.12.033.
Texto completo da fonteLiivat, Anti, Alvo Aabloo e John O. Thomas. "Development of a force field for Li2SiF6". Journal of Computational Chemistry 26, n.º 7 (2005): 716–24. http://dx.doi.org/10.1002/jcc.20209.
Texto completo da fonteAbel, Stéphane, François-Yves Dupradeau, Beatrice de Foresta e Massimo Marchi. "Development of a Force Field Topology Database for Detergents for Molecular Dynamics Simulations with the Amber Force Fields". Biophysical Journal 102, n.º 3 (janeiro de 2012): 395a—396a. http://dx.doi.org/10.1016/j.bpj.2011.11.2161.
Texto completo da fonteNISTORESCU, Claudiu Valer. "NEW CHALLENGES REGARDING THE DEVELOPMENT AND CONFIGURATION OF THE ARMORED CAPABILITIES". STRATEGIES XXI - Command and Staff College 17, n.º 1 (23 de julho de 2021): 37–47. http://dx.doi.org/10.53477/2668-2028-21-03.
Texto completo da fonteTeses / dissertações sobre o assunto "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.
Texto completo da fonteConfinement 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.
Texto completo da fonteDURHAM, PHILIP R. "Force Field Development for Calbindin D9k". University of Cincinnati / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1218547540.
Texto completo da fonteZollars, Eric Stafford Pierce Niles A. "Force field development in protein design /". Diss., Pasadena, Calif. : Caltech, 2006. http://resolver.caltech.edu/CaltechETD:etd-06052006-155305.
Texto completo da fonteLi, Xinbi. "Developing and Validating a Complete Second-order Polarizable Force Field for Proteins". Digital WPI, 2015. https://digitalcommons.wpi.edu/etd-dissertations/196.
Texto completo da fonteSA, QINA. "Developing the Polarizable Force Field: Focus on Amino Acid Residues". Digital WPI, 2011. https://digitalcommons.wpi.edu/etd-theses/1010.
Texto completo da fonteIsegawa, Miho. "Development of polarizable force field with charge response kernel". 京都大学 (Kyoto University), 2009. http://hdl.handle.net/2433/126573.
Texto completo da fonteJiao, Yuanfang. "The development of accurate force fields for protein simulation". Diss., Kansas State University, 2012. http://hdl.handle.net/2097/13946.
Texto completo da fonteDepartment 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.
Texto completo da fonteSharma, 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.
Texto completo da fonteLivros sobre o assunto "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.
Texto completo da fonteWolfgang, Fleischer. Heavy 24 cm Cannon development and action, 1916-1945. Atglen, PA: Schiffer Pub., 1998.
Encontre o texto completo da fonteZheltov, Maksim. Tunisian Revolution: prerequisites, features, legal grounds. ru: INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1840175.
Texto completo da fonteShah, 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.
Encontre o texto completo da fonteMadders, Kevin. A 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.
Encontre o texto completo da fonteCevelev, Aleksandr. Strategic development of railway transport logistics. ru: INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1194747.
Texto completo da fonteMintyagov, Stanislav, Valeriy Kalashnikov e 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.
Texto completo da fonteSapogova, Elena. Developmental psychology and age psychology. ru: INFRA-M Academic Publishing LLC., 2022. http://dx.doi.org/10.12737/997107.
Texto completo da fonteIsmailov, Nariman. Globalism and ecophilosophy of the future. ru: INFRA-M Academic Publishing LLC., 2021. http://dx.doi.org/10.12737/1212905.
Texto completo da fonteGadzhiev, Nazirhan, Sergey Konovalenko e 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.
Texto completo da fonteCapítulos de livros sobre o assunto "Force field developent"
Molinari, Marco, Andrey V. Brukhno, Stephen C. Parker e Dino Spagnoli. "Force Field Application and Development". In Molecular Modeling of Geochemical Reactions, 33–75. Chichester, UK: John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118845226.ch2.
Texto completo da fonteWang, Lee-Ping. "Force Field Development and Nanoreactor Chemistry". In 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.
Texto completo da fonteGasper, Des. "Development Ethics — An Emergent Field?" In Market Forces and World Development, 160–85. London: Palgrave Macmillan UK, 1994. http://dx.doi.org/10.1007/978-1-349-23138-6_9.
Texto completo da fonteZakirov, S. N., e Korotaev Yu. P. "Forced Development of Gas Fields". In Energy Reviews: Unified Gas Supply System of the USSR, 155–72. London: Routledge, 2023. http://dx.doi.org/10.4324/9781003391852-4.
Texto completo da fonteDurier, V., F. Tristram e G. Vergoten. "Molecular Force Field Development for Saccharides Using the Spasiba Spectroscopic Potential. Force Field Parameters for Glucose". In Spectroscopy of Biological Molecules, 435. Dordrecht: Springer Netherlands, 1995. http://dx.doi.org/10.1007/978-94-011-0371-8_199.
Texto completo da fontede Andrade, Jones, Elvis S. Böes e Hubert Stassen. "Force Field Development and Liquid State Simulations on Ionic Liquids". In ACS Symposium Series, 118–33. Washington, DC: American Chemical Society, 2005. http://dx.doi.org/10.1021/bk-2005-0901.ch009.
Texto completo da fonteLei, Zhanxiang, Jian Liu, Jian Li, Likun Xu, Lihong Fan, Yunbo Li e Zhaopeng Yang. "Driving Force Analysis of Sandstone Reservoirs with Strong Natural Aquifer". In 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.
Texto completo da fonteTschampel, Sarah M., Karl N. Kirschner e Robert J. Woods. "Incorporation of Carbohydrates into Macromolecular Force Fields: Development and Validation". In ACS Symposium Series, 235–57. Washington, DC: American Chemical Society, 2006. http://dx.doi.org/10.1021/bk-2006-0930.ch013.
Texto completo da fonteRasmussen, K. J., S. B. Engelsen, J. Fabricius e B. Rasmussen. "The Consistent Force Field: Development of Potential Energy Functions for Conformational Analysis". In 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.
Texto completo da fonteShin, Yun Kyung, Chowdhury M. Ashraf e Adri C. T. van Duin. "Development and Applications of the ReaxFF Reactive Force Field for Biological Systems". In 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.
Texto completo da fonteTrabalhos de conferências sobre o assunto "Force field developent"
Johnson, K., C. Creager, A. Izadnegahdar, S. Bauman, C. Gallo e P. Abel. "Development of Field Excavator with Embedded Force Measurement". In 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.
Texto completo da fonteWang, Aijun, Pushpendra Singh e Nadine Aubry. "Direct Simulation of Electrorheological Suspensions". In ASME 2001 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2001. http://dx.doi.org/10.1115/imece2001/fed-24923.
Texto completo da fonteShneerson, German A., Oleg S. Koltunov, Alexander N. Berezkin, Ivan A. Vecherov, Sergey I. Krivosheev, Alexey P. Nenashev e Anatoliy A. Parfentiev. "Development and investigation of one-layer quasi-force-free magnets". In 2012 14th International Conference on Megagauss Magnetic Field Generation and Related Topics (MEGAGAUSS). IEEE, 2012. http://dx.doi.org/10.1109/megagauss.2012.6781417.
Texto completo da fonteSundaram, B. Arun, Voggu Srinivas, S. Parivallal e Saptarshi Sasmal. "Evaluation of longitudinal forces on substructure of railway bridges due to increased axle loading and speed through full scale field investigations". In 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.
Texto completo da fonte"Developing an accurate force field for simulating modified RNA". In 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.
Texto completo da fonteNaaijen, P., e R. H. M. Huijsmans. "Real Time Prediction of Second Order Wave Drift Forces for Wave Force Feed Forward in DP". In ASME 2010 29th International Conference on Ocean, Offshore and Arctic Engineering. ASMEDC, 2010. http://dx.doi.org/10.1115/omae2010-20618.
Texto completo da fonteWaldorf, Daniel J., Richard E. DeVor e Shiv G. Kapoor. "A Slip-Line Field for Ploughing During Orthogonal Cutting". In ASME 1997 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1997. http://dx.doi.org/10.1115/imece1997-1133.
Texto completo da fonteStulp, Freek, Jonas Buchli, Alice Ellmer, Michael Mistry, Evangelos Theodorou e Stefan Schaal. "Reinforcement learning of impedance control in stochastic force fields". In 2011 IEEE International Conference on Development and Learning (ICDL). IEEE, 2011. http://dx.doi.org/10.1109/devlrn.2011.6037312.
Texto completo da fonteO’Dea, Murphy Leo, e Laila Guessous. "Development of an Advanced Wind Turbine Actuator Line Model". In 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.
Texto completo da fonteJASINSKAS, Algirdas, Ramūnas MIELDAŽYS, Juozas PEKARSKAS, Sigitas ČEKANAUSKAS, Antonin MACHALEK e Jiri SOUČEK. "THE ASSESSMENT OF ORGANIC AND NATURAL MAGNESIUM MINERAL FERTILIZERS GRANULATION AND THE DETERMINATION OF PRODUCED PELLET PROPERTIES". In RURAL DEVELOPMENT. Aleksandras Stulginskis University, 2018. http://dx.doi.org/10.15544/rd.2017.040.
Texto completo da fonteRelatórios de organizações sobre o assunto "Force field developent"
Pandey, Anup. Adaptive machine-learned force field development for high entropy alloy studies. Office of Scientific and Technical Information (OSTI), maio de 2022. http://dx.doi.org/10.2172/1868213.
Texto completo da fonteLaw, Edward, Samuel Gan-Mor, Hazel Wetzstein e Dan Eisikowitch. Electrostatic Processes Underlying Natural and Mechanized Transfer of Pollen. United States Department of Agriculture, maio de 1998. http://dx.doi.org/10.32747/1998.7613035.bard.
Texto completo da fonteLeis e Francini. L51832 Line Pipe Resistance to Outside Force. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), novembro de 1999. http://dx.doi.org/10.55274/r0010143.
Texto completo da fonteStulen. L51628 A Transient Far-Field Model of the Acoustic Emission in Buried Pipelines. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), janeiro de 1986. http://dx.doi.org/10.55274/r0011317.
Texto completo da fonteMartin, Marcus G., Edward J. Maginn, Robin D. Rogers, Greg Voth e 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, julho de 2008. http://dx.doi.org/10.21236/ada485626.
Texto completo da fonteFloyd, Webster, Kyle Dunsford, Andrew Groeneveld e 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.), maio de 2024. http://dx.doi.org/10.21079/11681/48591.
Texto completo da fonteNicholson, Nigel R., Gerard N. Deignan e 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, fevereiro de 1988. http://dx.doi.org/10.21236/ada396431.
Texto completo da fonteBoris Merinov, Adri van Duin, Sossina Haile e 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), abril de 2004. http://dx.doi.org/10.2172/833849.
Texto completo da fonteKrabill, Eleanor, Vivienne Zhang, Eric Lepowsky, Christoph Wirz, Alexander Glaser, Jaewoo Shin, Veronika Bedenko e Pavel Podvig. Menzingen Verification Experiment - Verifying the Absence of Nuclear Weapons in the Field. Editado por Pavel Podvig. The United Nations Institute for Disarmament Research, julho de 2023. http://dx.doi.org/10.37559/wmd/23/mve.
Texto completo da fontePinchuk, O. P., e 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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