Articles with public access mandates - Rika KobayashiLearn more
Not available anywhere: 1
The effect of descriptor choice in machine learning models for ionic liquid melting point prediction
K Low, R Kobayashi, EI Izgorodina
The Journal of Chemical Physics 153 (10), 2020
Mandates: Australian Research Council
Available somewhere: 18
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 2020
Mandates: US Department of Energy, US Department of Defense
Assignment of the Q-bands of the chlorophylls: coherence loss via Qx− Qy mixing
JR Reimers, ZL Cai, R Kobayashi, M Rätsep, A Freiberg, E Krausz
Scientific Reports 3 (1), 1-8, 2013
Mandates: Australian Research Council
Understanding and calibrating density-functional-theory calculations describing the energy and spectroscopy of defect sites in hexagonal boron nitride
JR Reimers, A Sajid, R Kobayashi, MJ Ford
Journal of chemical theory and computation 14 (3), 1602-1613, 2018
Mandates: Australian Research Council, National Natural Science Foundation of China
A new fundamental type of conformational isomerism
PJ Canfield, IM Blake, ZL Cai, IJ Luck, E Krausz, R Kobayashi, ...
Nature chemistry 10 (6), 615-624, 2018
Mandates: US National Institutes of Health, Australian Research Council, National …
Accurate prediction of the properties of materials using the CAM‐B3LYP density functional
M Li, JR Reimers, MJ Ford, R Kobayashi, RD Amos
Journal of Computational Chemistry 42 (21), 1486-1497, 2021
Mandates: National Natural Science Foundation of China
Virtual computational chemistry teaching laboratories—hands-on at a distance
R Kobayashi, TPM Goumans, NO Carstensen, TM Soini, N Marzari, ...
Journal of Chemical Education 98 (10), 3163-3171, 2021
Mandates: Swiss National Science Foundation, European Commission
Theoretical spectroscopy of the defect in hexagonal boron nitride
A Sajid, JR Reimers, R Kobayashi, MJ Ford
Physical Review B 102 (14), 144104, 2020
Mandates: National Natural Science Foundation of China
Convergence of defect energetics calculations
JR Reimers, A Sajid, R Kobayashi, MJ Ford
The Journal of Physical Chemistry C 124 (38), 21178-21183, 2020
Mandates: National Natural Science Foundation of China
Cluster approach to the prediction of thermodynamic and transport properties of ionic liquids
ZL Seeger, R Kobayashi, EI Izgorodina
The Journal of Chemical Physics 148 (19), 2018
Mandates: Australian Research Council
Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles
M Fronzi, RD Amos, R Kobayashi, N Matsumura, K Watanabe, ...
Nanomaterials 12 (21), 3891, 2022
Mandates: Australian Research Council
Formation of water–chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperature
JR Reimers, ZL Cai, R Kobayashi, M Rätsep, A Freiberg, E Krausz
Physical Chemistry Chemical Physics 16 (6), 2323-2330, 2014
Mandates: Australian Research Council
Density functionals with asymptotic-potential corrections are required for the simulation of spectroscopic properties of materials
M Li, R Kobayashi, RD Amos, MJ Ford, JR Reimers
Chemical Science 13 (5), 1492-1503, 2022
Mandates: National Natural Science Foundation of China
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles—Transferability towards Bulk
M Fronzi, RD Amos, R Kobayashi
Nanomaterials 13 (12), 1832, 2023
Mandates: Australian Research Council
NWChem: Past, present, and future
A Edoardo, E Bylaska, W Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of Chemical Physics, 2020, vol. 152, núm. 18, p. 182102, 2020
Mandates: US Department of Energy, US Department of Defense
The role of high-level calculations in the assignment of the Q-band spectra of chlorophyll
JR Reimers, ZL Cai, R Kobayashi, M Rätsep, A Freiberg, E Krausz
AIP Conference Proceedings 1618 (1), 18-22, 2014
Mandates: Australian Research Council
Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li2+
L Yang, JR Reimers, R Kobayashi, NS Hush
The Journal of Chemical Physics 151 (12), 2019
Mandates: National Natural Science Foundation of China
Evaluation of Machine Learning Interatomic Potentials for Gold Nanoparticles—Transferability towards Bulk. Nanomaterials 2023, 13, 1832
M Fronzi, RD Amos, R Kobayashi
Mandates: Australian Research Council
Virtual teaching laboratories–hands-on at a distance
R Kobayashi, TPM Gouman, NO Carstensen, TM Soini, N Marzari, ...
Mandates: Swiss National Science Foundation, European Commission
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