Browsing by Subject Computational chemistry
Showing results 1 to 13 of 13
| Issue Date | Title | Author(s) |
| 2023 | Ab Initio Based Computational Studies of Metal Oxide - Water Interfaces | Ding, Zhutian |
| 2019 | Computational Approaches for Sequence Guided Metagenome Mining of Small Molecules in the Human Microbiome | Camacho, Francine Rosa |
| 2021 | Deep Neural Network Simulations of Bulk and Interfacial Systems | Calegari Andrade, Marcos Felipe |
| 2017 | Exotic Ordered and Disordered Many-Particle Systems with Novel Properties | Zhang, Ge |
| 2019 | EXPLORING STRUCTURE-FUNCTION RELATIONSHIPS IN PHOTOSYNTHETIC LIGHT-HARVESTING ANTENNA COMPLEXES USING QUANTUM CHEMISTRY AND ULTRAFAST MULTIDIMENSIONAL ELECTRONIC SPECTROSCOPY | Toa, Zi Siang Desmond |
| 2018 | First Principles Studies of the Surface Chemistry of NiFe2O4 and NixCo3-xO4 Spinel | Shi, Xiao |
| 2019 | First-Principles Study on the Structural and Thermal Properties of Molecular Crystals and Liquids | Ko, Hsin-Yu |
| 2021 | Investigation of Biological Systems at Low Temperatures using Molecular Simulation | Kozuch, Daniel Jeffrey |
| 2023 | Investigations into Photosensitized Racemization of Atropisomers Guided by Density Functional Theory and Machine Learning | Deobald, Jackson Lee |
| 2020 | Machine learning for multi-scale molecular modeling: theories, algorithms, and applications | Zhang, Linfeng |
| 2018 | Quantum Mechanical Studies of Electrocatalysts for the Hydrogen and Oxygen Evolution Reactions | Tkalych, Alexander |
| 2021 | STUDIES OF PHOTOPHYSICS OVERARCHING THE SPIN MANIFOLDS USING CORRELATED QUANTUM CHEMISTRY | Kim, Hwon |
| 2019 | SURFACE CHEMISTRY OF MODEL OXYGENATES ON NICKEL AND PLATINUM SINGLE CRYSTALS FOR BIO-OIL UPGRADING AND SYNTHESIS OF RENEWABLE CHEMICALS | Scoullos, Emanuel V |