プロフィール詳細

プロジェクトを作成

★★★★★

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☆☆☆☆☆

Ganes S.に依頼

Indonesia

Computational Materials Researcher | Multiscale Modeling of Battery & Photovoltaic Materials | DFT, MD, Python

プロフィール概要

I am a materials scientist and engineer with a strong academic background, specializing in energy-related materials for rechargeable batteries and photovoltaic devices. Since 2019, I have also served as a university lecturer, teaching undergraduate and graduate courses in quantum mechanics, solid-state physics, statistical thermodynamics, and applied mathematics for science and engineering. My expertise lies in first-principles, atomistic-scale simulations, supported by advanced Python programming for workflow automation and data analysis. I have extensive experience with density functional theory (DFT) codes such as VASP, Quantum ESPRESSO and Gaussian, which I use to investigate electronic, thermal, optical and mechanical properties of materials. Beyond static calculations, I also employ ab-initio molecular dynamics (AIMD) to explore finite-temperature behavior, ionic diffusion, and interfacial processes in complex systems. In support of these simulations, I make extensive use of the Atomic Simulation Environment (ASE) and Pymatgen, which I leverage for structure generation, workflow automation, data handling, and high-throughput analysis. I am also fully prepared to tackle a broad range of condensed matter problems within the scope of first-principles atomistic simulation and modeling. My ongoing research projects focus on layered oxides- and Na₃V₂(PO₄)₃-based cathodes for next-generation batteries, NaSICON-type solid electrolytes, and quaternary Cu₂ZnSn(S/Se)₄-based photovoltaic absorbers. Within these systems, I have studied diffusion barriers, defect energetics, redox mechanisms and surface reactivity. While my primary experience centers on batteries and photovoltaics, I am actively expanding my perspective and remain open to applying my computational skills to other emerging technologies where first-principles insights can make a tangible impact. I bring both scientific rigor and practical insight, combining deep computational expertise with a broad understanding of the challenges and opportunities in advancing battery, photovoltaic, and beyond.

専門分野

• ☆ Catalysis
• ☆ Mathematical Chemistry
• ☆ Surface Science
• ☆ Inorganic Chemistry
• ☆ Molecular Engineering
• ☆ Physical Chemistry
• ☆ Electrochemistry
• ☆ Photochemistry
• ☆ Quantum Chemistry
• ☆ Theoretical Chemistry
• ☆ Computational Chemistry
• ☆ Engineering Physics
• ☆ Electromagnetism
• ☆ Statistical Mechanics
• ☆ Thermodynamics
• ☆ Quantum Mechanics
• ☆ Computational Physics
• ☆ Applied Physics
• ☆ Renewable Energy
• ☆ Solar Energy
• ☆ Python
• ☆ Peer Review
• ☆ Research Methodology
• ☆ Technical & Scientific Writing
• ☆ Manuscript & Journal Article Writing
• ☆ Scientific Proofreading & Editing
• ☆ Proofreading & Editing
• ☆ Language Translation

サービス

• Writing
• Research
• Consulting
• Data & AI

Writing Technical Writing

Research Scientific and Technical Research

Consulting Scientific and Technical Consulting

Data & AI Data Insights

職務経験

Faculty

Institut Teknologi Bandung

8月 2019 - 現在

Post-doctoral Researcher

Kyoto University

8月 2017 - 6月 2019

Invited Researcher

National Institute for Materials Science

8月 2017 - 6月 2019

specially-appointed researcher

Osaka University

10月 2016 - 4月 2017

学歴

Ph.D. (Applied Physics)

Osaka University

10月 2013 - 9月 2016

M.Eng. (Applied Physics)

Osaka University

10月 2011 - 9月 2013

B.Sc. (Engineering Physics)

Institut Teknologi Bandung

8月 2007 - 6月 2011

認定資格

• 認定資格の詳細は未入力です。

出版物

JOURNAL ARTICLE

Ganes Shukri, Bernardus Rendy, Muhammad Haris Mahyuddin, Fiki Taufik Akbar, Hermawan Kresno Dipojono, Febdian Rusydi, Adhitya Gandaryus Saputro (2026). Ethylene carbonate decomposition on pristine and oxygen-deficient binary metal oxide surfaces of battery cathode coating . Materials Chemistry and Physics.

Ganes Shukri, Nurfauzi Abdillah, Nur Rahmawati Ayukaryana, Mohammad Kemal Agusta, Febdian Rusydi (2025). On the thermodynamic of Cu-Zn disorder formation and electronic structure changes of alkaline-earth M-doped kesterite Cu2ZnSnS4 (M = Be, Mg, Ca) . Materials Chemistry and Physics.

Ganes Shukri, Hasna Afifah, Muhammad Haris Mahyuddin, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Ryo Maezono, Hermawan Kresno Dipojono (2025). O2-assisted methane oxidation to methanol over single atom-decorated anatase TiO2: mechanistic insights from first principles . New Journal of Chemistry.

Ganes Shukri, Ahmad Nuruddin, Adhitya Gandaryus Saputro, Arifin Luthfi Maulana, Apresio Kefin Fajrial, Muhammad Haris Mahyuddin, Fine Dwinita Aprilyanti, Ardiyan Harimawan, Hermawan Kresno Dipojono (2023). Enhancing oxygen reduction reaction activity of pyrolyzed Fe–N–C catalyst by the inclusion of BN dopant at the graphitic edges . Applied Surface Science.

Ganes Shukri, Ravanny W. M. Komalig, Mohammad Kemal Agusta, Muhammad Haris Mahyuddin, Afriyanti Sumboja, Adhitya Gandaryus Saputro, Ryo Maezono, Ahmad Nuruddin, Hermawan Kresno Dipojono (2023). Effect of the oxygen vacancy electronic state on Ni migration in Li0.5(Ni0.8Mn0.1Co0.1)O2 cathode material . Physical Chemistry Chemical Physics.

Ganes Shukri, Gilang Gumilar, Silvia Chowdhury, Aep Patah, Nugraha Nugraha, Joel Henzie, Isa Anshori, Yusuf Valentino Kaneti, Brian Yuliarto (2023). The revelation of glucose adsorption mechanisms on hierarchical metal–organic frameworks using a surface plasmon resonance sensor . Journal of Materials Chemistry B.

Ganes Shukri, Nenni, Adhitya G. Saputro, Nadhratun Naiim Mobarak, Fine Dwinita Aprilyanti, Ahmad Nuruddin, Hermawan K. Dipojono (2023). Tuning Na adsorption on the edge of a graphitic nanopore by incorporating a functionalized-ligand and single-heteroatom dopant . New Journal of Chemistry.

Ganes Shukri(2022). Anisotropic Li diffusion in pristine and defective ZnO bulk and (101¯0) surface . Solid State Ionics. 385. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 116025. Elsevier {BV}

Ganes Shukri, Ravanny W. M. Komalig, Mohammad K. Agusta, Adhitya G. Saputro, Afriyanti Sumboja, Ahmad Nuruddin, Hermawan K. Dipojono(2022). Enhanced Lithium Diffusivity in Reduced Cerium Oxides: A First-Principles Study . The Journal of Physical Chemistry C. American Chemical Society ({ACS})

Ganes Shukri, Bernardus Rendy, Adhitya Gandaryus Saputro, Febriyanti Veren Panjaitan, Poetri Sonya Tarabunga, Mohammad Kemal Agusta, Nadhratun Naiim Mobarak, Hermawan Kresno Dipojono(2022). Ethylene Carbonate Adsorption and Decomposition on Pristine and Defective ZnO(101̅0) Surfaces: A First-Principles Study . The Journal of Physical Chemistry C. American Chemical Society ({ACS})

Shukri, G., Rendy, B., Saputro, A.G., Panjaitan, F.V., Tarabunga, P.S., Agusta, M.K., Mobarak, N.N., Dipojono, H.K.(2022). Ethylene Carbonate Adsorption and Decomposition on Pristine and Defective ZnO(101¯ 0) Surfaces: A First-Principles Study . Journal of Physical Chemistry C. 126. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2151-2160.

Komalig, R.W.M., Shukri, G., Agusta, M.K., Saputro, A.G., Sumboja, A., Nuruddin, A., K. Dipojono, H.(2022). Enhanced Lithium Diffusivity in Reduced Cerium Oxides: A First-Principles Study . Journal of Physical Chemistry C. 126. (7). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3328-3338.

Saputro, A.G., Maulana, A.L., Fathurrahman, F., Shukri, G., Mahyuddin, M.H., Agusta, M.K., Wungu, T.D.K., Dipojono, H.K.(2021). Density functional and microkinetic study of CO₂ hydrogenation to methanol on subnanometer Pd cluster doped by transition metal (M= Cu, Ni, Pt, Rh) . International Journal of Hydrogen Energy. 46. (27). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 14418-14428.

Saputro, A.G., Maulana, A.L., Fathurrahman, F., Mahyuddin, M.H., Agusta, M.K., Shukri, G., Yudistira, H.T., Wenten, I.G., Dipojono, H.K.(2021). Formation of Tilted FeN₄Configuration as the Origin of Oxygen Reduction Reaction Activity Enhancement on a Pyrolyzed Fe-N-C Catalyst with FeN₄-Edge Active Sites . Journal of Physical Chemistry C. 125. (36). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 19682-19696.

Arramel, A., Fauzi, A.D., Yin, X., Tang, C.S., Mahyuddin, M.H., Sahdan, M.F., Aminah, M., Onggo, D., Shukri, G., Diao, C., et al.(2021). Ligand size effects in two-dimensional hybrid copper halide perovskites crystals . Communications Materials. 2. (1).

Iqbal, M., Kim, Y., Saputro, A.G., Shukri, G., Yuliarto, B., Lim, H., Nara, H., Alothman, A.A., Na, J., Bando, Y., et al.(2020). Tunable Concave Surface Features of Mesoporous Palladium Nanocrystals Prepared from Supramolecular Micellar Templates . ACS Applied Materials and Interfaces. 12. (46). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 51357-51365.

Okuno, Y., Ushirogata, K., Sodeyama, K., Shukri, G., Tateyama, Y.(2019). Structures, Electronic States, and Reactions at Interfaces between LiNi _0.5 Mn _1.5 O ₄ Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study . Journal of Physical Chemistry C. 123. (4). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 2267-2277.

Rusydi, F., Shukri, G., Saputro, A.G., Agusta, M.K., Dipojono, H.K., Suprijadi, S.(2017). Dipole strength calculation based on two-level system approximation to study Q=B-band intensity ratio of ZnTBP in solvent . Journal of the Physical Society of Japan. 86. (4).

Shukri, G., Diño, W.A., Dipojono, H.K., Agusta, M.K., Kasai, H.(2016). Enhanced molecular adsorption of ethylene on reduced anatase TiO₂ (001): Role of surface O-vacancies . RSC Advances. 6. (95). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 92241-92251.

Cahyanto, W.T., Widanarto, W., Shukri, G., Kasai, H.(2016). Theoretical studies of the adsorption of hydroxymethylidyne (COH) on Pt-alloy surfaces using density functional theory . Physica Scripta. 91. (2).

Shukri, G., Kasai, H.(2014). Density functional theory study of ethylene adsorption on clean anatase TiO₂ (001) surface . Surface Science. 619. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 59-66.

Cahyanto, W.T., Shukri, G., Agusta, M.K., Kasai, H.(2013). Adsorption of formaldehyde and formyl intermediates on Pt, PtRu-, and PtRuMo-alloy surfaces: A density functional study . Applied Surface Science. 266. Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 405-409.

OTHER

Shukri, G., Saputro, A.G., Tarabunga, P.S., Panjaitan, F.V., Agusta, M.K., Dipojono, H.K.(2021). Anisotropic li diffusion in pristine and defective ZnO . arXiv.

Shukri, G., Rendy, B., Saputro, A.G., Panjaitan, F.V., Tarabunga, P.S., Agusta, M.K., Mobarak, N.N., Dipojono, H.K.(2021). Ethylene carbonate adsorption and decomposition on pristine and defective ZnO (101^$0) surface: A first-principles study . arXiv.