School of Humanities and Sciences
Showing 1-10 of 25 Results
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Raghu Mahajan
Senior Research Scientist
Current Research and Scholarly InterestsMy research interests are wide-ranging:
1) In the context of gravity, how does spacetime emerge from its dual quantum system? How does the dual quantum system encode the answers to questions that involve local physics in semi-classical gravity? How do you avoid the "firewall" paradox in the context of black-hole evaporation?
2) How do you calculate electrical and heat currents in strongly-coupled many-body systems? How do you explain the linear-in-temperature resistivity in high-temperature cuprates?
3) Use tensor network methods to study electrical and heat transport and also the real-time dynamics of systems out of thermal equilibrium. -
Thomas Markland
Associate Professor of Chemistry
Current Research and Scholarly InterestsOur research centers on problems at the interface of quantum and statistical mechanics. Particular themes that occur frequently in our research are hydrogen bonding, the interplay between structure and dynamics, systems with multiple time and length-scales and quantum mechanical effects. The applications of our methods are diverse, ranging from chemistry to biology to geology and materials science. Particular current interests include proton and electron transfer in fuel cells and enzymatic systems, atmospheric isotope separation and the control of catalytic chemical reactivity using electric fields.
Treatment of these problems requires a range of analytic techniques as well as molecular mechanics and ab initio simulations. We are particularly interested in developing and applying methods based on the path integral formulation of quantum mechanics to include quantum fluctuations such as zero-point energy and tunneling in the dynamics of liquids and glasses. This formalism, in which a quantum mechanical particle is mapped onto a classical "ring polymer," provides an accurate and physically insightful way to calculate reaction rates, diffusion coefficients and spectra in systems containing light atoms. Our work has already provided intriguing insights in systems ranging from diffusion controlled reactions in liquids to the quantum liquid-glass transition as well as introducing methods to perform path integral calculations at near classical computational cost, expanding our ability to treat large-scale condensed phase systems. -
Todd Martinez
David Mulvane Ehrsam and Edward Curtis Franklin Professor of Chemistry and Professor of Photon Science
Current Research and Scholarly InterestsAb initio molecular dynamics, photochemistry, molecular design, mechanochemistry, graphical processing unit acceleration of electronic structure and molecular dynamics, automated reaction discovery, ultrafast (femtosecond and attosecond) chemical phenomena
