المؤلفون: Christopher Shepard, Yosuke Kanai

مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, simulations also reveal, drawn significant attention, electronic stopping power, larger stopping power, linear response theory, linear response model, irradiating ion ’, transfer larger amounts, dna electronic excitations, carbon ion irradiation, particularly carbon ions, energy transfer rate, dna electronic excitation, α ‑ particle, electronic excitation, energy transfer, carbon ions, larger numbers, dna increases, dna changes, predominant ions, heavier ions, energy particles, energy according, velocity dependence

Relation: https://figshare.com/articles/journal_contribution/Ion-Type_Dependence_of_DNA_Electronic_Excitation_in_Water_under_Proton_Particle_and_Carbon_Ion_Irradiation_A_First-Principles_Simulation_Study/24534511

الاتاحة: https://doi.org/10.1021/acs.jpcb.3c05446.s001
https://figshare.com/articles/journal_contribution/Ion-Type_Dependence_of_DNA_Electronic_Excitation_in_Water_under_Proton_Particle_and_Carbon_Ion_Irradiation_A_First-Principles_Simulation_Study/24534511

المؤلفون: Jian Cheng Wong (3945005), Yosuke Kanai (1285974)

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, principles dynamics simulation, excited electron relaxation, excited electron dynamics, simple organic molecule, excited electron transfer, bulk surface case, excited electron, dynamics much, interfacial transfer, bulk semiconductor, terminated silicon, quantum dot, quantum confinement

Relation: https://figshare.com/articles/journal_contribution/Quantum_Confinement_and_Decoherence_Effect_on_Excited_Electron_Transfer_at_the_Semiconductor_Molecule_Interface_A_First-Principles_Dynamics_Study/21782543

الاتاحة: https://doi.org/10.1021/acs.jpcc.2c05657.s001

المؤلفون: Yi Yao (365728), Yosuke Kanai (1285974)

مصطلحات موضوعية: Biophysics, Genetics, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, structure theory, network model, Random Phase Approximation, temperature dependence, EXX, RPA, exchange energy, quantum effects, ring polymer, dynamics simulation, Liquid Water, Artificial Neural Network, phase approximation, Nuclear Quantum Effect

Relation: https://figshare.com/articles/journal_contribution/Nuclear_Quantum_Effect_and_Its_Temperature_Dependence_in_Liquid_Water_from_Random_Phase_Approximation_via_Artificial_Neural_Network/14923342

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c01566.s001

المؤلفون: Jian Cheng Wong, Yosuke Kanai

المصدر: The Journal of Physical Chemistry C. 127:532-541

مصطلحات موضوعية: General Energy, Physical and Theoretical Chemistry, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::38e63ceeef91d90918feabbb5147e80f
https://doi.org/10.1021/acs.jpcc.2c05657

المؤلفون: Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos, Brian Robinson, Yifan Yao, Yi Yao, Xavier Andrade, Andrew David Baczewski, Emil Constantinescu, Alfredo A. Correa, Yosuke Kanai, Normand Modine, André Schleife

المصدر: MRS Communications. 12:1002-1014

مصطلحات موضوعية: General Materials Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::bcfb2b9b0678546cfa8e01d5119261fb
https://doi.org/10.1557/s43579-022-00273-7

المؤلفون: Magnus Pauly, Mawuli Deegbey, Landon Keller, Scott McGuigan, Golnaz Dianat, Jian Cheng Wong, Corban G.F. Murphey, Bo Shang, Hailiang Wang, James Cahoon, Renato Sampaio, Yosuke Kanai, Gregory Parsons, Elena Jakubikova, Paul Maggard

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::7c12bc55c751317371b46bfbd5315d6e
https://doi.org/10.26434/chemrxiv-2023-117xm

المؤلفون: Sampreeti Bhattacharya, Yosuke Kanai

المصدر: Physical Review Materials. 7

مصطلحات موضوعية: Physics and Astronomy (miscellaneous), General Materials Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ed7fcd99d0132fc95927168e6bc1ab81
https://doi.org/10.1103/physrevmaterials.7.055001

المؤلفون: Christopher Shepard, Dillon C. Yost, Yosuke Kanai

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, General Physics and Astronomy, Soft Condensed Matter (cond-mat.soft), FOS: Physical sciences, Condensed Matter - Soft Condensed Matter

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a80d4c04a4610395097dbaa664d27f18
http://arxiv.org/abs/2303.09466

المؤلفون: Yi Yao, Dorothea Golze, Patrick Rinke, Volker Blum, Yosuke Kanai

المصدر: Journal of Chemical Theory and Computation. 18:1569-1583

مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3e4f9979be7d94d4d2165da3a6057432
https://doi.org/10.1021/acs.jctc.1c01180

المؤلفون: Christopher Shepard, Yosuke Kanai

المصدر: Physical Chemistry Chemical Physics. 24:5598-5603

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9160f3e79309921e9c28cb35116030e7
https://doi.org/10.1039/d1cp05313b

المؤلفون: Yosuke Kanai, Jake M. Evans, James F. Cahoon, Aaron D. Taggart, Katherine J. Lee, Lesheng Li, Jillian L. Dempsey

المصدر: ACS Applied Energy Materials. 3:10702-10713

مصطلحات موضوعية: Aqueous solution, Materials science, Proton, Non-blocking I/O, Energy Engineering and Power Technology, Photocathode, Catalysis, Metal, Dye-sensitized solar cell, Atomic layer deposition, Chemical engineering, visual_art, Materials Chemistry, Electrochemistry, visual_art.visual_art_medium, Chemical Engineering (miscellaneous), Electrical and Electronic Engineering

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::694fab75a9b484560396539c1aa4e1df
https://doi.org/10.1021/acsaem.0c01751

المؤلفون: Yi, Yao, Dorothea, Golze, Patrick, Rinke, Volker, Blum, Yosuke, Kanai

المصدر: Journal of chemical theory and computation. 18(3)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::538fa5ff49d876a940233a58b652baab
https://pubmed.ncbi.nlm.nih.gov/35138865

المؤلفون: Ruiyi Zhou, Yosuke Kanai, Dillon C. Yost

مصطلحات موضوعية: Physics, Floquet theory, Condensed Matter - Materials Science, Wannier function, Winding number, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, 02 engineering and technology, 021001 nanoscience & nanotechnology, Antibonding molecular orbital, 01 natural sciences, symbols.namesake, Atomic orbital, Quantum mechanics, 0103 physical sciences, symbols, General Materials Science, Molecular orbital, Physical and Theoretical Chemistry, 010306 general physics, 0210 nano-technology, Hamiltonian (quantum mechanics), Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f6afaf4a8fd9595c9331494a4781de4

المؤلفون: Jianhang Xu, Ruiyi Zhou, Zhen Tao, Christopher Malbon, Volker Blum, Sharon Hammes-Schiffer, Yosuke Kanai

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, General Physics and Astronomy, FOS: Physical sciences, Physical and Theoretical Chemistry, Computational Physics (physics.comp-ph), Physics - Computational Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aaf6dc57369fdcf8d2a5adfe87ed78d3

المؤلفون: Yosuke Kanai

المصدر: Mundo Nano, Vol 2, Iss 2 (2015)

مصطلحات موضوعية: simulaciones por computadora, aplicaciones fotovoltaicas, nanomateriales, Biotechnology, TP248.13-248.65, Science

وصف الملف: electronic resource

Relation: https://mundonano.unam.mx/ojs/index.php/nano/article/view/53586; https://doaj.org/toc/2007-5979; https://doaj.org/toc/2448-5691

URL الوصول: https://doaj.org/article/7c7a1bbf420c47b69296938ad181e76d

المؤلفون: Jian Cheng Wong, Yosuke Kanai

المصدر: ChemPhysChem. 23

مصطلحات موضوعية: Physics, Relaxation (NMR), Surface hopping, DNA, Molecular physics, Atomic and Molecular Physics, and Optics, Dissociation (psychology), Ion, Picosecond, Excited state, Ionization, medicine, Physical and Theoretical Chemistry, medicine.symptom, Order of magnitude

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61686d274baf08afb73c0abb3b16b18e
https://doi.org/10.1002/cphc.202100521

المؤلفون: Dillon C. Yost, Yi Yao, Christopher Shepard, Ruiyi Zhou, Yosuke Kanai

المصدر: The Journal of chemical physics. 155(10)

مصطلحات موضوعية: Physics, Pseudopotential, Classical mechanics, Perspective (geometry), Dynamics (mechanics), Plane wave, General Physics and Astronomy, Density functional theory, Time-dependent density functional theory, Physical and Theoretical Chemistry, Rotation formalisms in three dimensions, Excitation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::baf3173e7f89e007db523dcd8c76f832
https://pubmed.ncbi.nlm.nih.gov/34525811

المؤلفون: Yosuke Kanai, Lesheng Li

المصدر: The Journal of Physical Chemistry C. 123:13295-13303

مصطلحات موضوعية: Surface (mathematics), Materials science, business.industry, Dynamics (mechanics), Molecular physics, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Vibronic coupling, General Energy, Semiconductor, Self-energy, Electron injection, Excited state, Molecule, Physical and Theoretical Chemistry, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5c25eb8eaa892fe26075c8b997996be8
https://doi.org/10.1021/acs.jpcc.9b01820

المؤلفون: Yosuke Kanai, Dillon C. Yost

المصدر: Journal of the American Chemical Society. 141:5241-5251

مصطلحات موضوعية: Proton, Chemistry, Quantum dynamics, Electrons, DNA, General Chemistry, Electron, Molecular Dynamics Simulation, Alpha Particles, 010402 general chemistry, 01 natural sciences, Biochemistry, Catalysis, 0104 chemical sciences, Ion, Colloid and Surface Chemistry, Ionization, Stopping power (particle radiation), Density functional theory, Irradiation, Protons, Atomic physics, Density Functional Theory, DNA Damage

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::63946399d6425fef67cafc36375424a0
https://doi.org/10.1021/jacs.8b12148

المؤلفون: Yi Yao, Yosuke Kanai

المصدر: The journal of physical chemistry letters. 12(27)

مصطلحات موضوعية: Physics, chemistry.chemical_classification, Models, Molecular, Ring (mathematics), Artificial neural network, Exchange interaction, Molecular Conformation, Temperature, Water, Electronic structure, Polymer, Molecular dynamics, chemistry, Quantum Theory, General Materials Science, Density functional theory, Statistical physics, Neural Networks, Computer, Physical and Theoretical Chemistry, Random phase approximation

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0dca1692cafba1293fb1dbaee227aca0
https://pubmed.ncbi.nlm.nih.gov/34231366