51 - 60 of 71 results for: CHEM

Introduction to computational chemistry methods and tools that can be used to interpret and guide experimental research. Project based and hands-on experience with electronic structure calculations, obtaining minimum energy structures and reaction pathways, molecular simulation and modeling. Prerequisite: knowledge of undergraduate level quantum mechanics at the level of CHEM 171.

Introduction to machine learning methodologies for the chemical sciences, with an emphasis on the current state-of-the-art for applications to both experimental and computational data. The course will be hands-on and final projects will be a major component of the coursework. Material covered will include neural networks, classification and regression, image analysis, graph neural networks, learning potential energy surfaces, coarse-graining, Monte Carlo simulation, and applications to quantum chemistry and molecular dynamics. Prerequisite: knowledge of undergraduate level quantum mechanics and statistical mechanics at the levels of Chem 173 and Chem 175. Experience with Python highly recommended.

The principles of quantum mechanics. General formulation, mathematical methods, and applications of quantum theory. The topics include: Schrodinger equation, multidimensional systems, quantum mechanical tunneling, Dirac notation, postulates of quantum mechanics, harmonic oscillator, vibrational modes in molecules and solids, approximate methods including perturbation theory and the variational method. Introduction to molecular structure methods.

Molecular theory of kinetics and statistical mechanics: transport and reactions in gases and liquids, ensembles and the Boltzmann distribution law, partition functions, molecular simulation, structure and dynamics of liquids. Diffusion and activation limited reactions, potential energy surfaces, collision theory and transition-state theory. Prerequisites: either CHEM 173 or CHEM 171 for students who took CHEM 171 in Spring 2021 or later, or equivalent course.

Introduction to modern electrochemical measurement in a hands-on, laboratory setting. Students will assemble simple electrochemical cells and build simple circuits to digitize the data they collect. Students will work with reference, working, and counter electrodes with macro, micro and ultramicro geometries, salt bridges, ion-selective membranes, electrometers, and potentiostats. Prerequisites: CHEM 171 or equivalent.

Quantum mechanics with examples related to spectroscopy. Includes time dependent perturbation theory, matrix formalism, density matrix formalism and angular momentum. Required: CHEM 271 or equivalent quantum mechanics course.

From the underlying quantum mechanics to isotopic labeling strategies and pulse sequence design, students will develop a strong foundation in understanding magnetic resonance and manipulating spins to detect and discover chemistry - the atomic-level structure and dynamics - in diverse biological systems, synthetic polymers, and other organic and inorganic materials and glasses. We will cover the following foundational material: quantum and classical descriptions of NMR; analysis of pulse sequences and spin coherences via density matrices and the product operator formalism; NMR spectrometer design; Fourier analysis of time-dependent observable magnetization; relaxation; solid-state NMR; NMR problem-solving strategies and examples. Student presentations of NMR applications/topics in the second half of the quarter. The course assumes completion of an undergraduate-level course in quantum mechanics.

Covers optical detection, spectroscopy, and imaging of single, individual molecules for detection of motional dynamics, super-resolution structure beyond the diffraction limit, and nanoscale interactions and orientations, primarily in biological materials. Includes laboratory demonstration.

Focus on the combined use of organic chemistry and molecular biology to make, manipulate and measure biomacromolecules, with special focus on DNA and RNA. Synthetic and enzymatic methods for design and construction of oligonucleotides and nucleic acids; methods for bioconjugation and labeling; fluorescence tools; intracellular delivery strategies; selection and evolution methods; CRISPR mechanisms. Prerequisite: One year of undergraduate organic chemistry. Completion of a course in molecular biology is strongly recommended.