يعرض 1 - 20 نتائج من 351 نتيجة بحث عن '"Conte, Riccardo"', وقت الاستعلام: 0.49s تنقيح النتائج
  1. 1
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    The quantum nature of ubiquitous vibrational features revealed for ethylene glycol

    المؤلفون: Nandi, Apurba, Conte, Riccardo, Pandey, Priyanka, Houston, Paul L., Qu, Chen, Yu, Qi, Bowman, Joel M.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2501.18833

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  2. 2
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    Extending the atomic decomposition and many-body representation, a chemistry-motivated monomer-centered approach for machine learning potentials

    المؤلفون: Yu, Qi, Ma, Ruitao, Qu, Chen, Conte, Riccardo, Nandi, Apurba, Pandey, Priyanka, Houston, Paul L., Zhang, Dong H., Bowman, Joel M.

    مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Disordered Systems and Neural Networks, Physics - Atomic and Molecular Clusters, Physics - Computational Physics

    URL الوصول: http://arxiv.org/abs/2412.00522

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  3. 3
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    Can We Learn the Energy of Sublimation of Ice from Water Clusters?

    المؤلفون: Bowman, Joe, Yu, Qi, Qu, Chen, Houston, Paul, Conte, Riccardo

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2408.05234

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  4. 4
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    $\Delta$-Machine Learning to Elevate DFT-based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol

    المؤلفون: Nandi, Apurba, Pandey, Priyanka, Houston, Paul L., Qu, Chen, Yu, Qi, Conte, Riccardo, Tkatchenko, Alexandre, Bowman, Joel M.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2407.20050

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  5. 5
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    Tell machine learning potentials what they are needed for: Simulation-oriented training exemplified for glycine

    المؤلفون: Ge, Fuchun, Wang, Ran, Qu, Chen, Zheng, Peikun, Nandi, Apurba, Conte, Riccardo, Houston, Paul L., Bowman, Joel M., Dral, Pavlo O.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2403.11216

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  6. 6
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    Impact of spin-entropy on the thermoelectric properties of a 2D magnet

    المؤلفون: Canetta, Alessandra, Volosheniuk, Serhii, Satheesh, Sayooj, Batista, José Pedro Alvarinhas, Castellano, Aloïs, Conte, Riccardo, Chica, Daniel G., Watanabe, Kenji, Taniguchi, Takashi, Roy, Xavier, van der Zant, Herre S. J., Burghard, Marko, Verstraete, Matthieu J., Gehring, Pascal

    مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics

    URL الوصول: http://arxiv.org/abs/2403.08581

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  7. 7
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    Assessing PIP and sGDML Potential Energy Surfaces for H3O2-

    المؤلفون: Pandey, Priyanka, Arandhara, Mrinal, Houston, Paul L., Qu, Chen, Conte, Riccardo, Bowman, Joel M., Ramesh, Sai G.

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2402.11158

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  8. 8
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    No Headache for PIPs: A PIP Potential for Aspirin Outperforms Other Machine-Learned Potentials

    المؤلفون: Houston, Paul L., Qu, Chen, Yu, Qi, Pandey, Priyanka, Conte, Riccardo, Nandi, Apurba, Bowman, Joel M.

    المصدر: J. Chem. Theory Comput. 2024

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2401.09316

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  9. 9
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    A $\Delta$-Machine Learning Approach for Force Fields, Illustrated by a CCSD(T) 4-body Correction to the MB-pol Water Potential

    المؤلفون: Qu, Chen, Yu, Qi, Conte, Riccardo, Houston, Paul L., Nandi, Apurba, Bowman, Joel M.

    المصدر: Digital Discovery, 2022

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2206.04254

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  10. 10
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    Quantum calculations on a new CCSD(T) machine-learned PES reveal the leaky nature of gas-phase $trans$ and $gauche$ ethanol conformers

    المؤلفون: Nandi, Apurba, Conte, Riccardo, Qu, Chen, Houston, Paul L., Yu, Qi, Bowman, Joel M.

    المصدر: J. Chem. Theory Comput. 2022

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2206.02297

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  11. 11
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    q-AQUA: a many-body CCSD(T) water potential, including 4-body interactions, demonstrates the quantum nature of water from clusters to the liquid phase

    المؤلفون: Yu, Qi, Qu, Chen, Houston, Paul L., Conte, Riccardo, Nandi, Apurba, Bowman, Joel M.

    المصدر: J. Phys. Chem. Lett. 2022, 13, 5068-5074

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2204.01804

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  12. 12
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    Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods

    المؤلفون: Houston, Paul L., Qu, Chen, Nandi, Apurba, Conte, Riccardo, Yu, Qi, Bowman, Joel M.

    المصدر: J. Chem. Phys. 2022

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2112.01734

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  13. 13
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    A CCSD(T)-based permutationally invariant polynomial 4-body potential for water

    المؤلفون: Nandi, Apurba, Qu, Chen, Houston, Paul L., Conte, Riccardo, Bowman, Joel M.

    المصدر: J. Phys. Chem. Lett. 2021, 12, 10318-10324

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2107.05881

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  14. 14
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    Breaking the Coupled Cluster Barrier for Machine Learned Potentials of Large Molecules: The Case of 15-atom Acetylacetone

    المؤلفون: Qu, Chen, Houston, Paul, Conte, Riccardo, Nandi, Apurba, Bowman, Joel M.

    المصدر: J. Phys. Chem. Lett. 12 (2021) 4902-4909

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2103.12333

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  15. 15
    Academic Journal
    A time averaged semiclassical approach to IR spectroscopy.

    المؤلفون: Lanzi, Cecilia, Aieta, Chiara, Ceotto, Michele, Conte, Riccardo

    المصدر: Journal of Chemical Physics; 6/7/2024, Vol. 160 Issue 21, p1-11, 11p

    مصطلحات موضوعية: MOLECULAR spectra, POWER spectra, SPECTROMETRY, FREQUENCIES of oscillating systems, LOW temperatures


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  16. 16
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    Machine Learning for Vibrational Spectroscopy via Divide-and-Conquer Semiclassical Initial Value Representation Molecular Dynamics with Application to N-Methylacetamide

    المؤلفون: Gandolfi, Michele, Rognoni, Alessandro, Aieta, Chiara, Conte, Riccardo, Ceotto, Michele

    مصطلحات موضوعية: Physics - Chemical Physics, Quantum Physics

    URL الوصول: http://arxiv.org/abs/2101.03927

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  17. 17
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    $\Delta$-Machine Learning for Potential Energy Surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) Level of Theory

    المؤلفون: Nandi, Apurba, Qu, Chen, Houston, Paul, Conte, Riccardo, Bowman, Joel M.

    المصدر: J. Chem. Phys. 154 (2021) 051102

    مصطلحات موضوعية: Physics - Chemical Physics

    URL الوصول: http://arxiv.org/abs/2011.11601

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  18. 18
    Academic Journal
    Dynamics Calculations of the Flexibility and Vibrational Spectrum of the Linear Alkane C 14 H 30 , Based on Machine-Learned Potentials

    المؤلفون: Qu, Chen, Houston, Paul L., Conte, Riccardo, Bowman, Joel M.

    المساهمون: National Aeronautics and Space Administration

    المصدر: The Journal of Physical Chemistry A ; volume 128, issue 49, page 10713-10722 ; ISSN 1089-5639 1520-5215

    الاتاحة: https://doi.org/10.1021/acs.jpca.4c06943
    https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c06943

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  19. 19
    Academic Journal
    Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2–

    المؤلفون: Pandey, Priyanka, Arandhara, Mrinal, Houston, Paul L., Qu, Chen, Conte, Riccardo, Bowman, Joel M., Ramesh, Sai G.

    المساهمون: P. Pandey, M. Arandhara, P.L. Houston, C. Qu, R. Conte, J.M. Bowman, S.G. Ramesh

    مصطلحات موضوعية: Settore CHIM/02 - Chimica Fisica, Settore FIS/03 - Fisica della Materia

    Relation: info:eu-repo/semantics/altIdentifier/pmid/38624168; info:eu-repo/semantics/altIdentifier/wos/WOS:001203581600001; volume:128; issue:16; firstpage:3212; lastpage:3219; numberofpages:8; journal:JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY; https://hdl.handle.net/2434/1047809; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85190728773

    الاتاحة: https://hdl.handle.net/2434/1047809
    https://doi.org/10.1021/acs.jpca.4c01044

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  20. 20
    Academic Journal
    Δ-Machine Learning to Elevate DFT-Based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol

    المؤلفون: Nandi, Apurba, Pandey, Priyanka, Houston, Paul L., Qu, Chen, Yu, Qi, Conte, Riccardo, Tkatchenko, Alexandre, Bowman, Joel M.

    المساهمون: A. Nandi, P. Pandey, P.L. Houston, C. Qu, Q. Yu, R. Conte, A. Tkatchenko, J.M. Bowman

    مصطلحات موضوعية: Settore CHEM-02/A - Chimica fisica, Settore PHYS-04/A - Fisica teorica della materia, modelli, metodi matematici e applicazioni

    Relation: info:eu-repo/semantics/altIdentifier/pmid/39361051; info:eu-repo/semantics/altIdentifier/wos/WOS:001328601800001; volume:20; issue:20; firstpage:8807; lastpage:8819; numberofpages:13; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/2434/1117092

    الاتاحة: https://hdl.handle.net/2434/1117092
    https://doi.org/10.1021/acs.jctc.4c00977

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