| A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices XF Minghao Yu, Naisa Chandrasekhar, Ramya Kormath Madam Raghupathy, Khoa ... J.Am.Chem.Soc. 142, 19570−19578, 2020 | 234 | 2020 |
| Interfacial Covalent Bonds Regulated Electron‐Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions X Wang, RKM Raghupathy, CJ Querebillo, Z Liao, D Li, K Lin, M Hantusch, ... Advanced Materials, 2008752, 2021 | 71 | 2021 |
| Stability and Reactivity of Methane Clathrate Hydrates: Insights from Density Functional Theory KRRA Venkatnathan Journal Of Physical Chemistry A 116, 7742-7745, 2012 | 63 | 2012 |
| Database screening of ternary chalcogenides for p-type transparent conductors R Kormath Madam Raghupathy, H Wiebeler, TD Kühne, C Felser, ... Chemistry of Materials 30 (19), 6794-6800, 2018 | 33 | 2018 |
| Rational design of transparent p-type conducting non-oxide materials from high-throughput calculations RKM Raghupathy, TD Kühne, C Felser, H Mirhosseini Journal of Materials Chemistry C 6 (3), 541-549, 2018 | 33 | 2018 |
| Molecular Simulations of Anion and Temperature Dependence on Structure and Dynamics of 1-hexyl-3-methylimidazolium Ionic Liquids AV Kormathmadam Raghupathy Ramya, Praveen Kumar J. Phys. Chem. B, 2015 | 32 | 2015 |
| Interplay of Phase Separation, Tail Aggregation, and Micelle Formation in the Nanostructured Organization of Hydrated Imidazolium Ionic Liquid AKAV K. R. Ramya, Praveen Kumar Journal of Physical Chemistry B 118 (29), 8839-8847, 2014 | 32 | 2014 |
| Raman spectra of vibrational and librational modes in methane clathrate hydrates using density functional theory GVPKAV K. R. Ramya Journal of Chemical Physics 136, 174305, 2012 | 32 | 2012 |
| Vibrational Raman spectra of hydrogen clathrate hydrates from density functional theory KRRA Venkatnathan Journal of Chemical Physics 138, 124305, 2013 | 24 | 2013 |
| A Neutral Cluster Cage with a Tetrahedral [Pd12IIL6] Framework: Crystal Structures and Host–Guest Studies RB Arvind K. Gupta , Ashok Yadav , Anant Kumar Srivastava , Kormathmadam ... Inorganic Chemistry, 2015 | 19 | 2015 |
| Alkali Atoms Diffusion Mechanism in CuInSe2 Explained by Kinetic Monte Carlo Simulations R Kormath Madam Raghupathy, TD Kühne, G Henkelman, H Mirhosseini Advanced Theory and Simulations, 1900036, 2019 | 17 | 2019 |
| Properties of Co‐Evaporated RbInSe2 Thin Films T Kodalle, R Kormath Madam Raghupathy, T Bertram, N Maticiuc, ... physica status solidi (RRL)–Rapid Research Letters 13 (3), 1800564, 2019 | 17 | 2019 |
| Density functional theory study of oxygen clathrate hydrates KR Ramya, A Venkatnathan NISCAIR-CSIR, India, 2013 | 16 | 2013 |
| Characterization of interaction energy and vibrational Raman spectra of nitrogen clathrate hydrates AV K.R. Ramya Computational and Theoretical Chemistry 1023 (1), 1-4, 2013 | 15 | 2013 |
| Photocatalytic activity of phosphorene derivatives: coverage, electronic, optical, and excitonic properties S Arra, KR Ramya, R Babar, M Kabir The Journal of Physical Chemistry C 122 (13), 7194-7202, 2018 | 9 | 2018 |
| Theoretical Investigation of Interaction of CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water HM Sudhir Kumar Sahoo, Ramya Kormath Madam Raghupathy, Thomas D. Kuehne J. Phys. Chem. C 122 (37), 21202–21209, 2018 | 8 | 2018 |
| Probing translational and rotational dynamics in hydrophilic/hydrophobic anion based imidazolium ionic liquid–water mixtures P Kumar, P Prakash, KR Ramya, A Venkatnathan Soft Matter 14 (29), 6109-6118, 2018 | 8 | 2018 |
| Virtual screening of nitrogen-, phosphorous- and halide-containing materials as p-type transparent conductors HMTDK Hendrik Wiebeler, Ramya Kormath Madam Raghupathy Journal of Physics: Materials 4 (015004), 1-13, 2021 | 7* | 2021 |
| Vibrational Properties of RbInSe2: Raman Scattering Spectroscopy and First-Principle Calculations M Guc, T Kodalle, R Kormath Madam Raghupathy, H Mirhosseini, ... The Journal of Physical Chemistry C 124 (2), 1285-1291, 2020 | 6 | 2020 |
| In silicoinvestigation of Cu(In,Ga)Se2-basedsolar cells MCTDK Hossein Mirhosseini,* Ramya Kormath Madam Raghupathy,Sudhir K. Sahoo ... Phys.Chem.Chem.Phys. 22, 26682--26701, 2020 | 3 | 2020 |
Thomas D. KühneFounding Director of the Center for Advanced Systems Understanding (CASUS)Підтверджена електронна адреса в cp2k.org
