يعرض 1 - 20 نتائج من 739 نتيجة بحث عن '"Maurer, Reinhard"', وقت الاستعلام: 0.51s تنقيح النتائج
  1. 1
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    Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals

    المؤلفون: Box, Connor L., Maurer, Reinhard J., Shang, Honghui, Scheffler, Matthias, Blum, Volker, Carbogno, Christian, Rossi, Mariana

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/2501.16091

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  2. 2
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    One-step synthesis of graphene containing topological defects

    المؤلفون: Klein, Benedikt P., Stoodley, Matthew A., Deyerling, Joel, Rochford, Luke A., Morgan, Dylan B., Hopkinson, David, Sullivan-Allsop, Sam, Eratam, Fulden, Sattler, Lars, Weber, Sebastian M., Hilt, Gerhard, Generalov, Alexander, Preobrajenski, Alexei, Liddy, Thomas, Williams, Leon B. S., Lee, Tien-Lin, Saywell, Alex, Gorbachev, Roman, Haigh, Sarah J., Allen, Christopher, Auwärter, Willi, Maurer, Reinhard J., Duncan, David A.

    مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics

    URL الوصول: http://arxiv.org/abs/2411.02676

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  3. 3
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    Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces

    المؤلفون: Preston, Riley J., Ke, Yaling, Rudge, Samuel L., Hertl, Nils, Borrelli, Raffaele, Maurer, Reinhard J., Thoss, Michael

    مصطلحات موضوعية: Physics - Chemical Physics, Quantum Physics

    URL الوصول: http://arxiv.org/abs/2410.05142

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  4. 4
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    Theory and Atomistic Simulation of Electrodeposition

    المؤلفون: Chaudhuri, Shayantan, Maurer, Reinhard J.

    مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Chemical Physics, Physics - Computational Physics

    URL الوصول: http://arxiv.org/abs/2409.16704

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  5. 5
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    Room Temperature Hydrogen Atom Scattering Experiments Are Not a Sufficient Benchmark to Validate Electronic Friction Theory

    المؤلفون: Box, Connor L., Hertl, Nils, Stark, Wojciech G., Maurer, Reinhard J.

    مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2408.12949

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  6. 6
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    Equivariant Representation of Configuration-Dependent Friction Tensors in Langevin Heatbaths

    المؤلفون: Sachs, Matthias, Stark, Wojciech G., Maurer, Reinhard J., Ortner, Christoph

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/2407.13935

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  7. 7
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    Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations

    المؤلفون: Stishenko, Pavel, McSloy, Adam, Onat, Berk, Hourahine, Ben, Maurer, Reinhard J., Kermode, James R., Logsdail, Andrew

    المصدر: J. Chem. Phys. 161, 012502 (2024)

    مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Other Condensed Matter

    URL الوصول: http://arxiv.org/abs/2403.15625

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  8. 8
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    Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces

    المؤلفون: Stark, Wojciech G., van der Oord, Cas, Batatia, Ilyes, Zhang, Yaolong, Jiang, Bin, Csányi, Gábor, Maurer, Reinhard J.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2403.15334

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  9. 9
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    Predicting long timescale kinetics under variable experimental conditions with Kinetica.jl

    المؤلفون: Gilkes, Joe, Storr, Mark, Maurer, Reinhard J., Habershon, Scott

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2403.08657

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  10. 10
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    First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer

    المؤلفون: Meng, Gang, Gardner, James, Dou, Wenjie, Maurer, Reinhard J., Jiang, Bin

    مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Atomic Physics, Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2401.02316

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  11. 11
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    The electrostatic potential of atomic nanostructures on a metal surface

    المؤلفون: Bolat, Rustem, Guevara, Jose M., Leinen, Philipp, Knol, Marvin, Arefi, Hadi H., Maiworm, Michael, Findeisen, Rolf, Temirov, Ruslan, Hofmann, OliverT., Maurer, Reinhard J., Tautz, F. Stefan, Wagner, Christian

    مصطلحات موضوعية: Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics

    URL الوصول: http://arxiv.org/abs/2312.13579

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  12. 12
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    libMBD: A general-purpose package for scalable quantum many-body dispersion calculations

    المؤلفون: Hermann, Jan, Stöhr, Martin, Góger, Szabolcs, Chaudhuri, Shayantan, Aradi, Bálint, Maurer, Reinhard J., Tkatchenko, Alexandre

    مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science, Physics - Computational Physics

    URL الوصول: http://arxiv.org/abs/2308.03140

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  13. 13
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    Stability of Single Metal Atoms on Defective and Doped Diamond Surfaces

    المؤلفون: Chaudhuri, Shayantan, Logsdail, Andrew J., Maurer, Reinhard J.

    مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

    URL الوصول: http://arxiv.org/abs/2306.06274

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  14. 14
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    Assessing mixed quantum-classical molecular dynamics methods for nonadiabatic dynamics of molecules on metal surfaces

    المؤلفون: Gardner, James, Habershon, Scott, Maurer, Reinhard J.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2305.17944

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  15. 15
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    Machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces based on iterative refinement of reaction probabilities

    المؤلفون: Stark, Wojciech G., Westermayr, Julia, Douglas-Gallardo, Oscar A., Gardner, James, Habershon, Scott, Maurer, Reinhard J.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2305.10873

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  16. 16
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    Efficient implementation and performance analysis of the independent electron surface hopping method for dynamics at metal surfaces

    المؤلفون: Gardner, James, Corken, Daniel, Janke, Svenja M., Habershon, Scott, Maurer, Reinhard J.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2212.00518

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  17. 17
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    Characterizing Molecule-Metal Surface Chemistry with Ab-Initio Simulation of X-ray Absorption and Photoemission Spectra

    المؤلفون: Hall, Samuel J., Klein, Benedikt P., Maurer, Reinhard J.

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/2210.02187

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  18. 18
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    High-throughput property-driven generative design of functional organic molecules

    المؤلفون: Westermayr, Julia, Gilkes, Joe, Barrett, Rhyan, Maurer, Reinhard J.

    المصدر: Nature Computational Science (2023)

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2207.01476

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  19. 19
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    Thermodynamic Driving Forces for Substrate Atom Extraction by Adsorption of Strong Electron Acceptor Molecules

    المؤلفون: Rhyan, Paul, Blowey, Philip James, Sohail, Billal S., Rochford, Luke A., Duncan, David A., Lee, Tien-Lin, Starrs, Peter, Costantini, Giovanni, Maurer, Reinhard J., Woodruff, David Phillip

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/2203.08028

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  20. 20
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    Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces

    المؤلفون: Westermayr, Julia, Chaudhuri, Shayantan, Jeindl, Andreas, Hofmann, Oliver T., Maurer, Reinhard J.

    مصطلحات موضوعية: Condensed Matter - Materials Science

    URL الوصول: http://arxiv.org/abs/2202.13009

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