AREA OF EXPERTISE (DIVISION / GROUP / FIELD)
- CHEMICAL SCIENCES/ THEORETICAL AND COMPUTATIONAL CHEMISTRY NOT ELSEWHERE CLASSIFIED/ THEORETICAL AND COMPUTATIONAL CHEMISTRY
- CHEMICAL SCIENCES/ QUANTUM CHEMISTRY/ THEORETICAL AND COMPUTATIONAL CHEMISTRY
RESEARCH INTEREST
- Application of hybrid QM/MM molecular dynamics simulation To investigate structure and dynamics of ion in various solvents and processes at interfaces, Molecular modelling and molecular dynamics simulation of chemical and biochemical systems
COMPETENCE/ CERTIFICATION
- Pelatihan bagi Laboran Tingkat Lanjut , – , Date : 2021-03-19
- Pelatihan bagi Laboran Tingkat Lanjut (Level 3: Terampil Penyelia) Bidang Kimia Tahun 2022 , – , Date : 2022-02-25
- Pelatihan Ekosistem Pembelajaran Inovatif , – , Date : 2020-11-30
- Pelatihan Peningkatan Keterampilan Dasar Teknik Instruksional (PEKERTI) Tahun 2020 , Universitas/lintas unit kerja , Date : 2020-12-18
- Pendidikan dan Pelatihan Dasar bagi Dosen Baru , – , Date : 2020-07-16
RESEARCH
- Studi Teoritis Disosiasi CO2 pada Katalis Al2O3/Ptx : Efek Interaksi Logam – Katalis dan Ukuran Kluster Logam [2021]
(Ketua Peneliti) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Simulasi Atomistik Zirconium Molecular Organic Framework 801 (MOF-801) Tersubstitusi Fluorine Sebagai Material Hydrogen Storage [2020]
(Ketua Peneliti) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (Anggota Peneliti) Wangsa, S.Si. (Anggota Peneliti) ADI TIARA ZIKRI - PEMODELAN MOLEKUL DAN SINTESIS POLIMER TERCETAK MOLEKUL KHOLESTEROL UNTUK EKSTRAKSI SORPSI PADA BATANG MAGNET [2016]
(Ketua Peneliti) Drs. Iqmal Tahir, M.Si (Anggota Peneliti) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (Anggota Peneliti) Mokhammad Fajar Pradipta, S.Si.,M.Eng.
COMMUNITY SERVICES
- PENGOLAHAN LIMBAH PLASTIK DAN BAN BEKAS MENJADI BAHAN BAKAR DI BUMDES GENTAN, BAKI, SUKOHARJO, JAWA TENGAH [2023]
(1) Dr. Sri Sudiono, S.Si., M.Si. (2) Prof. Dr. Triyono, S.U. (3) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (4) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (5) Dra. Ani Setyopratiwi M.Si. (6) Drs. Iqmal Tahir, M.Si (7) Akhmad Syoufian, Ph.D. (8) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (9) Dr. Aulia Sukma Hutama, S.Si., M.Si. (10) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (11) RADITYA H AGHARADATU - BRIKET ARANG BERBASIS KOTORAN KAMBING DI CV. BERKAT ILAHI FARM, YOGYAKARTA [2023]
(1) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (2) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (3) Prof. Dr. Triyono, S.U. (4) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (5) Dra. Ani Setyopratiwi M.Si. (6) Drs. Iqmal Tahir, M.Si (7) Dr. Sri Sudiono, S.Si., M.Si. (8) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (9) Dr. Aulia Sukma Hutama, S.Si., M.Si. (10) Akhmad Syoufian, Ph.D. - Pengembangan Instalasi Pengolahan Minyak Cengkeh Desa Gerbosari Agar Sesuai SNI [2022]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (3) Dra. Ani Setyopratiwi M.Si. (4) Dr. Aulia Sukma Hutama, S.Si., M.Si. (5) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (6) Prof. Dr. Iip Izul Falah (7) Drs. Iqmal Tahir, M.Si (8) Dr. Sri Sudiono, S.Si., M.Si. (9) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (10) Akhmad Syoufian, Ph.D. (11) Dra. Ani Setyopratiwi, M.Si. (12) Dr. Sri Sudiono, S.Si., M.Si. - PENDAMPINGAN TEKNOLOGI TEPAT GUNA MODEL SLOW RELEASED FERTILIZER DAN PESTISIDA MENGGUNAKAN NANOEMULSI KHITOSAN PADA PROSES BUDIDAYA BUNGA KRISAN DI PANGGERAN, HARGOBINANGUN [2022]
(1) Dr. Aulia Sukma Hutama, S.Si., M.Si. (2) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (3) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (4) Prof. Dr. Triyono, S.U. (5) Prof. Dr. Iip Izul Falah (6) Akhmad Syoufian, Ph.D. (8) Drs. Iqmal Tahir, M.Si (9) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (11) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (12) Dra. Ani Setyopratiwi, M.Si. (13) Dr. Sri Sudiono, S.Si., M.Si. - Pelatihan Kewirausahaan Produk Sabun Cuci Tangan (Cara Pembuatan, Branding dan Marketing) Untuk Masyarakat Di Daerah Istimewa Yogyakarta [2021]
(1) Dra. Ani Setyopratiwi, M.Si. (2) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (3) Prof. Dr. Triyono, S.U. (4) Prof. Dr. Iip Izul Falah (5) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (6) Drs. Iqmal Tahir, M.Si (7) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (8) Dr. Sri Sudiono, S.Si., M.Si. (9) Akhmad Syoufian, Ph.D. (10) Dr. Aulia Sukma Hutama, S.Si., M.Si. (11) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Sosialisasi Budidaya Magot dari Limbah Dapur di Desa Sukoharjo, Kapenewon Ngaglik, kabupaten Sleman [2021]
(1) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (2) Aulia Ratri Hapsari, S.Si., M.Sc. (3) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (4) Devy Pramudyah Wardani, S.Si., M.Sc. - Pengolahan Minyak Cengkeh Agar Sesuai SNI Dan Kajian Kelayakan Bisnisnya [2021]
(1) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (2) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (3) Prof. Dr. Triyono, S.U. (4) Prof. Dr. Iip Izul Falah (5) Dra. Ani Setyopratiwi, M.Si. (6) Drs. Iqmal Tahir, M.Si (7) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (8) Dr. Sri Sudiono, S.Si., M.Si. (9) Akhmad Syoufian, Ph.D. (10) Dr. Aulia Sukma Hutama, S.Si., M.Si. (11) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - PEMBUATAN HAND SANITIZER UTUK MEMBINA PERILAKU KELUARGA SEHAT BAGI MASYARAKAT DESA GERBOSARI SAMIGALUH KULON PROGO DIY [2020]
(1) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (2) Prof.Dr. Bambang Setiaji (3) Prof. Dr. Triyono, S.U. (4) Prof. Dr. Iip Izul Falah (5) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (6) Dra. Ani Setyopratiwi, M.Si. (7) Drs. Iqmal Tahir, M.Si (8) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (9) Dr. Sri Sudiono, S.Si., M.Si. (10) Akhmad Syoufian, Ph.D. (11) Dr. Aulia Sukma Hutama, S.Si., M.Si. (12) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - UPAYA PENINGKATAN KESEHATAN KELUARGA DAN PEMBERDAYAAN KADER PKK MELALUI PELATIHAN PEMBUATAN HANDSANITIZER DI DUSUN SEMEN TRENTEN CANDIMULYO MAGELANG [2020]
(1) Prof. Dra. Wega Trisunaryanti, M.S., Ph.D.,Eng. (2) Prof.Dr. Bambang Setiaji (3) Prof. Dr. Triyono, S.U. (4) Prof. Dr. Iip Izul Falah (5) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (6) Dra. Ani Setyopratiwi, M.Si. (7) Drs. Iqmal Tahir, M.Si (8) Mokhammad Fajar Pradipta, S.Si.,M.Eng. (9) Dr. Sri Sudiono, S.Si., M.Si. (10) Akhmad Syoufian, Ph.D. (11) Dr. Aulia Sukma Hutama, S.Si., M.Si. (12) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc.
JOURNAL PUBLICATION
- Copper-and-Nitrogen-Codoped Zirconium Titanate (Cu-N-ZrTiO4) as a Photocatalyst for Photo-Degradation of Methylene Blue under Visible-Light Irradiation – 2023 [2023]
(1) LENNY RAHMAWATI (2) RIAN KURNIAWAN (3) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (4) Dr. Sri Sudiono, S.Si., M.Si. (5) Akhmad Syoufian, Ph.D. - Role of Main Group Nonmetal Dopants on the Electronic Properties of the TcS2 Monolayer Revealed by Density Functional Theory [2023]
(1) WIDYA (2) LALA ADETIA MARLINA (3) Dr. Aulia Sukma Hutama, S.Si., M.Si. (4) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Revisiting the Structure and Dynamics of Hydrated Cd2+ in Aqueous Solutions: Insights from the RI-SCS MP2/MM Molecular Dynamics Simulation [2023]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Alberto Krishna Ksatria Winning Kusuma (3) La Ode Muhamad Iqbal - Effect of Pt Cluster Size on CO2 Adsorption and Activation on (110) and (100) γ-Alumina Surfaces: Insights from DFT using a Periodic Boundary Approach [2022]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Theoretical Investigation on the Structure of Mixed-Metal Zeolitic Imidazolate Framework and Its Interaction with CO2 [2022]
(1) Fajar Inggit Pambudi, S.Si., M.Sc., Ph.D. (2) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - The Lability of the First Solvation Shell of Silver Cations In Liquid Ammonia: A Quantum Mechanical Charge Field Molecular Dynamics Simulation Study [2022]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Yuniawan Hidayat - Irregular Structure of the Hydrated Ag+ in Aqueous Solution and its Dynamics: an Insight from Perturbation Theory Hybrid Forces Molecular Dynamics Simulation [2022]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - The fate of Water Molecules on (11-20) and (1-102) α-Alumina Surfaces: 2D Periodic Self-consistent-charge Density-functional tight-binding/Molecular Mechanics Molecular Dynamics Study [2022]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) AHYA AULIA OKTARINI (3) Mokhammad Fajar Pradipta, S.Si.,M.Eng. - Penambatan Molekul dan Simulasi Dinamika Molekular Kandungan Minyak Kayu Manis dan Minyak Serai Dapur Sebagai Antibakteri Methicillin Resistant Staphylococcus aureus [2022]
(1) CAESART KAHARUDIN K (2) AFIF AKMAL AFKAUNI (3) ADITYA YUAN P (4) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Corrosion Inhibition Properties of Phenyl Phthalimide Derivatives against Carbon Steel in the Acidic Medium: DFT, MP2, and Monte Carlo Simulation Studies [2022]
(1) Saprizal Hadisaputra (2) Agus Abhi Purwoko (3) Aliefman Hakim (4) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (5) Saprini Hamdiani - Codoping Effect of Nitrogen (N) to Iron (Fe) Doped Zirconium Titanate (ZrTiO4) Composite toward Its Visible Light Responsiveness as Photocatalysts – 2022 [2022]
(1) RIZKA HAYATI (2) RIAN KURNIAWAN (3) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (4) Dr. Sri Sudiono, S.Si., M.Si. (5) Akhmad Syoufian, Ph.D. - The effect of electron correlation in unraveling the hydration properties of Sc3+ in aqueous solution: A rigid body quantum mechanics/molecular mechanics simulation study [2021]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Insight into the Structure of the Heulandite-type Zeolite Containing Aromatic Compounds using Periodic Density Functional Theory [2021]
(1) Fajar Inggit Pambudi, S.Si., M.Sc., Ph.D. (2) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. - Carbon dioxide in liquid ammonia: An ab initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) simulation study on structure, dynamics and thermodynamics of solvation [2020]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Thomas S. Hofer - First Solvation Shell Structure and Dynamics of Solvated Ca2+ in Dilute Aqueous Ammonia by First Principle : A QMCF MD Simulation Study [2020]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) ADI TIARA ZIKRI (3) Saprizal Hadisaputra - Quantum Chemical and Monte Carlo Simulation Studies on Inhibition Performance of Caffeine and Its Derivatives against Corrosion of Copper [2020]
(1) Saprizal Hadisaputra (2) Agus Abhi Purwoko (4) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (5) Emmy Yuanita (6) Saprini Hamdiani - Hybrid Forces Molecular Dynamics on the Lability, Dynamics and “Structure Breaking Effect” of Cs+ in Liquid Ammonia [2020]
(1) Yuniawan Hidayat (2) Netty Fitria Rahmawati (4) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (5) Prof. Dr.rer.nat. Harno Dwi Pranowo, M.Si. - Toward Hydrogen Storage Material in Fluorinated Zirconium Metal-organic Framework (MOF-801): A Periodic Density Functional Theory (DFT) Study of Fluorination and Adsorption [2020]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Fajar Inggit Pambudi, S.Si., M.Sc., Ph.D. - Adsorption and dissociation of water molecules at the ?-Al2O3(0001) surface: A 2-dimensional hybrid self-consistent charge density functional based tight-binding/molecular mechanics molecular dynamics (2D SCC- DFTB/MM MD) simulation study [2019]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Thomas S Hofer - Structure, Dynamics, and Hydration Free Energy of Carbon Dioxide in Aqueous Solution: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) Simulation Study [2018]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Thomas S. Hofer - Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations [2018]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Philippe H. Hünenberger (3) Thomas S. Hofer - Exploring structure and dynamics of solvated Ca(II) in liquid ammonia: A quantum mechanical charge field (QMCF) molecular dynamics simulation [2017]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) WIJI UTAMI (3) Dr.rer.nat. Ria Armunanto, S.Si, M.Si. (4) Thomas S. Hofer - Revisiting Structure and Dynamics of Ag(I) in 18% Aqueous Ammonia : Quantum Mechanical Charge Field (QMCF) Molecular Dynamics Simulation Study. [2016]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Dr.rer.nat. Ria Armunanto, S.Si, M.Si. - The Explosive Sensitivity on the Complex Formation of 3-Nitro-1,2,4-Triazol-5-One and Metal Ions Based on Density [2015]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Saprizal Hadisaputra - Lithium (I) in Liquid Ammonia : A Quantum Mechanical Charge Field (QMCF) Molecular Dynamics Simulation Study [2014]
(1) Dr.rer.nat. Niko Prasetyo, S.Si., M.Sc. (2) Lorenz R Canaval (3) Prof. Dr. rer. nat. Karna Wijaya, M.Eng. (4) Dr.rer.nat. Ria Armunanto, S.Si, M.Si.
