CMD-QE Laboratory

Computational Materials Design and Quantum Engineering

Resume Paper

Resume Paper: Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals

Resume Paper: Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals

Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals Muhammad Haris Mahyuddin, Aleksandar Staykov, Adhitya Gandaryus Saputro, Mohammad Kemal Agusta, Hermawan Kresno Dipojono, Kazunari Yoshizawa J. Phys. Chem.

Resume Paper: Density functional and microkinetic study of CO2 hydrogenation to methanol on subnanometer Pd cluster doped by transition metal (M= Cu, Ni, Pt, Rh)

Resume Paper: Density functional and microkinetic study of CO2 hydrogenation to methanol on subnanometer Pd cluster doped by transition metal (M= Cu, Ni, Pt, Rh)

Density functional and microkinetic study of CO2 hydrogenation to methanol on subnanometer Pd cluster doped by transition metal (M= Cu, Ni, Pt, Rh) Adhitya Gandaryus Saputro*, Arifin Luthfi Maulana,Fadjar Fathurrahman, Ganes Shukri, Muhammad Haris Mahyuddin, Mohammad Kemal Agusta,  Triati Dewi Kencana

Resume Paper: Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of Boron-Doped Pyrolyzed Fe-N-C Catalyst

Resume Paper: Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of Boron-Doped Pyrolyzed Fe-N-C Catalyst

Dissociative Oxygen Reduction Reaction Mechanism on the Neighboring Active Sites of Boron-Doped Pyrolyzed Fe-N-C Catalyst Adhitya Gandaryus Saputro, Apresio Kefin Fajrial, Arifin Luthfi Maulana, Fadjar Fathurrahman, Mohammad Kemal Agusta, Fiki Taufik Akbar, Hermawan Kresno Dipojono. J. Phys. Chem. C, 124,11383–91,