Name | Topic | Title |
---|---|---|
Mr. Nick Terrel | Computational Chemistry | Atomistic uncertainty estimation in ANAKIN-ME neural network potentials |
Mr. Joao Sequeira | Computational Chemistry | Extending the stochastic titration CpHMD to the AMBER14SB force field for future search of non-opioid analgesics |
Miss Zhiyu Wang | Computational Chemistry | Atomic Charge Schemes Comparison for Fe Single Atom in Graphitic carbon: Insights from Quantum Simulations and Machine Learning |
Ms. Dimuthu Kodituwakku | Computational Chemistry | Effects of glycosylation on the structure of Glucose oxidase |
Prof. Shyam Kattel | Computational Chemistry | Computations Guided Catalysts Design |
Mr. Michael Lynn | Computational Chemistry | Density Functional Theory (DFT) Study on Bulk Properties of Transition Metal Nitrides |
Prof. Prem Chapagain | Computational Chemistry | Computer-aided exploration of novel drugs and drug targets |
Dr. Ashlyn Hale | Inorganic Chemistry | Molecular Analogues of the Structure and Spin Vector Ordering of LnMnO3 Manganite Perovskites |
Mr. Zhichun Shi | Inorganic Chemistry | A combined structural, spectroscopic, electrochemical, and magnetic study of Nickel (II) pyrazolates: dinuclear [Ni2], linear [Ni3], and triangular [Ni3] incorporating five-/six-coordinate Ni2+ ions. |
Dr. ChristiAnna Brantley | Inorganic Chemistry | Single-Molecule Magnets on Molecular Nanoparticles of δ-Bi2O3 |
Mr. Alexander Diodati | Inorganic Chemistry | Covalently-linked Supramolecular Dimers of {Mn2(μ-O)}2+ Complexes |
Jiahui Liu | Inorganic Chemistry | Solvent Effects on Intercalation Reactions in VOPO4·2H2O |
Mr. Saryvoudh Mech | Inorganic Chemistry | Synthesizing CdTe Magic-Sized Clusters with a Secondary Phosphine |
Mr. Shubham Bisht | Inorganic Chemistry | Triangular Paramagnetic Molecules as Mimics of Long-Range Phenomena in Bulk Magnets |
Milo Adams | Inorganic Chemistry | Transition-Metal Dependent Magnetic Ordering in Intercalated Vanadium Ditelluride |
Name | Topic | Title |