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C

Chris‐Kriton Skylaris

Pacific Northwest National Laboratory

44H指数
234论文数
6.0K被引数
收录论文 97
发表时间
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Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles氧化物热力学与位点阻断的桥梁：铂纳米颗粒上ORR活性的计算研究
errACS CATALYSIS
IF13.1
err2025-03-21
err0
errOAAI
errDemeyere, T; Ellaby, T; Sarwar, M; Thompsett, D; Skylaris, CK
err分享
err收藏
A Comparison of Modern Solvation Models for Oxygen Reduction at the Pt(111) InterfacePt(111) 界面氧还原的现代溶剂化模型的比较
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-11-12
err0
errOAAI
errDemeyere, Tom; Skylaris, Chris-Kriton
err分享
err收藏
Large-scale density functional theory simulations of defects and hydrogen incorporation in PuO 2
errPHYSICAL REVIEW B
IF3.7
err2024-06-03
err0
PREAI
errAnwar, Nabeel; Harker, Robert M.; Storr, Mark T.; Molinari, Marco; Skylaris, Chris-Kriton
err分享
err收藏
Conformational Analysis of 1,3-Difluorinated Alkanes
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2024-05-31
err0
errOAAI
errPoole, William G.; Peron, Florent; Fox, Stephen J.; Wells, Neil; Skylaris, Chris-Kriton; Essex, Jonathan W.; Kuprov, Ilya; Linclau, Bruno
err分享
err收藏
An Electronic Structure Investigation of PEDOT with AlCl4- Anions-A Promising Redox Combination for Energy Storage Applications
errPOLYMERS
IF4.9
err2024-05-11
err0
errOAAI
errCraig, Ben; Townsend, Peter; de Leon, Carlos Ponce; Skylaris, Chris-Kriton; Kramer, Denis
err分享
err收藏
Tuning the work function of graphite nanoparticles via edge termination
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2024-01-01
err0
errOAAI
errMercer, Michael P.; Bhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Skylaris, Chris K.; Kramer, Denis
err分享
err收藏
Mechanisms of Li deposition on graphite anodes: surface coverage and cluster growth石墨阳极上Li沉积的机理: 表面覆盖和簇生长
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2024-01-01
err0
errOAAI
errBhandari, Arihant; Dziedzic, Jacek; Owen, John R.; Kramer, Denis; Skylaris, Chris-Kriton
err分享
err收藏
Towards the Operational Window for Nitridic and Carbidic Palladium Nanoparticles for Directed Catalysis
errCHEMCATCHEM
IF3.9
err2023-10-06
err2
errOAAI
errCostley-Wood, Lucy G.; Mohammed, Khaled; Carravetta, Marina; Decarolis, Donato; Goguet, Alexandre; Kordatos, Apostolos; Vakili, Reza; Manyar, Haresh; McPake, Erin; Skylaris, Chris-Kriton; Thompson, Paul; Gibson, Emma K.; Wells, Peter P.
err分享
err收藏
Linear-scaling density functional theory (DFT) simulations of point, Frenkel and Schottky defects in CeO2
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2023-10-01
err6
errOAAI
errAnwar, Nabeel; Harker, Robert M.; Storr, Mark T.; Molinari, Marco; Skylaris, Chris-Kriton
err分享
err收藏
Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2023-04-18
err5
errOAAI
errMorado, Joao; Mortenson, Paul N.; Nissink, J. Willem M.; Essex, Jonathan W.; Skylaris, Chris-Kriton
err分享
err收藏
Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-31
err14
errOAAI
errBramley, Gabriel A.; Nguyen, Manh-Thuong; Glezakou, Vassiliki-Alexandra; Rousseau, Roger; Skylaris, Chris-Kriton
err分享
err收藏
Ab initio study of lithium intercalation into a graphite nanoparticle
errMATERIALS ADVANCES
IF4.7
err2022-01-01
err5
errOAAI
errHolland, Julian; Bhandari, Arihant; Kramer, Denis; Milman, Victor; Hanke, Felix; Skylaris, Chris-Kriton
err分享
err收藏
Li nucleation on the graphite anode under potential control in Li-ion batteries锂离子电池中石墨负极在电势控制下的Li成核
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2022-01-01
err15
errOAAI
errBhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Owen, John R.; Kramer, Denis; Skylaris, Chris-Kriton
err分享
err收藏
Massively parallel linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane wave basis set accuracy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-09
err2
PREAI
errDziedzic, Jacek; Womack, James C.; Ali, Rozh; Skylaris, Chris-Kriton
err分享
err收藏
Pushing the boundaries of lithium battery research with atomistic modelling on different scales用不同尺度的原子建模推动锂电池研究的边界
errPROGRESS IN ENERGY
IF9.8
err2021-12-07
err11
errOAAI
errMorgan, Lucy M.; Mercer, Michael P.; Bhandari, Arihant; Peng, Chao; Islam, Mazharul M.; Yang, Hui; Holland, Julian; Coles, Samuel W.; Sharpe, Ryan; Walsh, Aron; Morgan, Benjamin J.; Kramer, Denis; Islam, M. Saiful; Hoster, Harry E.; Edge, Jacqueline Sophie; Skylaris, Chris-Kriton
err分享
err收藏
Generation of Quantum Configurational Ensembles Using Approximate Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-10-13
err2
errOAAI
errMorado, Joao; Mortenson, Paul N.; Nissink, J. Willem M.; Verdonk, Marcel L.; Ward, Richard A.; Essex, Jonathan W.; Skylaris, Chris-Kriton
err分享
err收藏
Electrochemistry from first-principles in the grand canonical ensemble
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-12
err16
errOAAI
errBhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Anton, Lucian; Owen, John R.; Kramer, Denis; Skylaris, Chris-Kriton
err分享
err收藏
Intercalation voltages for spinel LixMn2O4 (0≤x≤2) cathode materials: Calibration of calculations with the ONETEP linear-scaling DFT code
errMATERIALS TODAY COMMUNICATIONS
IF4.5
err2021-06-01
err3
errOAAI
errLedwaba, Raesibe S.; Womack, James C.; Skylaris, Chris-Kriton; Ngoepe, Phuti E.
err分享
err收藏
Ab initio molecular dynamics study of AlCl4- adsorption on PEDOT conducting polymer chains
errmaterials reports: energy
IF5.1
err2021-05-01
err1
errOAAI
errCraig, Ben; Skylaris, Chris-Kriton; de Leon, Carlos Ponce; Kramer, Denis
err分享
err收藏
ParaMol: A Package for Automatic Parameterization of Molecular Mechanics Force Fields
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-03-22
err24
errOAAI
errMorado, Joao; Mortenson, Paul N.; Verdonk, Marcel L.; Ward, Richard A.; Essex, Jonathan W.; Skylaris, Chris-Kriton
err分享
err收藏

研究方向

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