Accepted Presentations

In by admin

 Name Topic Title
Mr. Nick TerrelComputational Chemistry

Atomistic uncertainty estimation in ANAKIN-ME neural network potentials

Mr. Joao SequeiraComputational Chemistry

Extending the stochastic titration CpHMD to the AMBER14SB force field for future search of non-opioid analgesics

Miss Zhiyu WangComputational Chemistry

Atomic Charge Schemes Comparison for Fe Single Atom in Graphitic carbon: Insights from Quantum Simulations and Machine Learning

Ms. Dimuthu KodituwakkuComputational Chemistry

Effects of glycosylation on the structure of Glucose oxidase

Prof. Shyam KattelComputational Chemistry

Computations Guided Catalysts Design

Mr. Michael LynnComputational Chemistry

Density Functional Theory (DFT) Study on Bulk Properties of Transition Metal Nitrides

Prof. Prem ChapagainComputational Chemistry

Computer-aided exploration of novel drugs and drug targets

Dr. Ashlyn HaleInorganic Chemistry

Molecular Analogues of the Structure and Spin Vector Ordering of LnMnO3 Manganite Perovskites

Mr. Zhichun ShiInorganic 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 BrantleyInorganic Chemistry

Single-Molecule Magnets on Molecular Nanoparticles of δ-Bi2O3

Mr. Alexander DiodatiInorganic Chemistry

Covalently-linked Supramolecular Dimers of {Mn2(μ-O)}2+ Complexes

Jiahui LiuInorganic Chemistry

Solvent Effects on Intercalation Reactions in VOPO4·2H2O

Mr. Saryvoudh MechInorganic Chemistry

Synthesizing CdTe Magic-Sized Clusters with a Secondary Phosphine

Mr. Shubham BishtInorganic Chemistry

Triangular Paramagnetic Molecules as Mimics of Long-Range Phenomena in Bulk Magnets

Milo AdamsInorganic Chemistry

Transition-Metal Dependent Magnetic Ordering in Intercalated Vanadium Ditelluride

 Name Topic Title