Rodney J. Bartlett

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Graduate Research Professor of Chemistry and Physics and Director of QTP 2012-2017. His main research interest is in highly correlated methods for ab initio electronic structure theory, including Coupled Cluster Methods and Many Body Perturbation Theory.

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Hai-Ping Cheng

Director of QTP

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cheng@qtp.ufl.edu

Professor of Physics and Chemistry and QTP Director (2018-2020). Her main research interest is in simulation of properties of large clusters, complex nanostructures, and surface effects.

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Erik Deumens

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deumens@qtp.ufl.edu

Scientist in Chemistry and Physics and Director of UF Research Computing since 2011. His main research interest is in parallel software design for petascale and exascale machines, time-dependent studies of the interaction of electrons and nuclei in molecules using the Electron Nuclear Dynamics method, and the principles of quantum mechanics.

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Richard Hennig

Assoc. Director of QTP

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rhennig@mse.ufl.edu

Assoc. Professor of Materials Science and Engineering. His research interests include computational methods for materials discovery and design (materials genome initiative context) and computational predicition and characterization of nano-structured and 2D materials.

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Ajith Perera

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perera@.qtp.ufl.edu

Scientist, Chemistry. Research focuses on coupled-cluster and many-body methods and their efficient computational implementation for prediction and interpretation of molecular structure and properties. Code development includes ACES-II and ACES-III.

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Simon Phillpot

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sphil@mse.ufl.edu

Professor and former Chair of Materials Science and Engineering. His research interests include multiscale simulation.

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Beverly Sanders

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sanders@cise.ufl.edu

Assoc. Professor of Computer and Information Science and Engineering. Her research interests most closely connected with QTP are in software engineering and programming languages for high performance computing.

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John F. Stanton

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johnstanton@ufl.edu

William R. Kenan Professor of Chemistry. Research interests focus on high-level quantum chemical methodology and their application to challenging problems of molecular spectroscopy. Collaborative software development includes the CFOUR package.

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Xiaoguang Zhang

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xgz@ufl.edu

Professor of Physics. Main research interests include (a) theory, modelling and computation of transport phenomena in magnetic tunnel junctions, molecular junctions, and other nanoscale systems; (b) semi-conductor electron mobility and capture cross-section calculations; (c) image informatics in the context of scanning tunneling potentiometry.

Frank E. Harris

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harris@qtp.ufl.edu

Research Prof. of Chemistry, Univ. Florida and Prof. of Physics, Univ. of Utah.

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David A. Micha

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micha@qtp.ufl.edu

Professor Emeritus of Chemistry. His research interests are theoretical and computational aspects of many-body collision theory, quantum molecular dynamics, many-electron description of time-dependent molecular phenomena, and statistical mechanics of response and rate processes.

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Henk J. Monkhorst

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monkhors@qtp.ufl.edu

Professor Emeritus of Physics. His main research interest is properties of polymers and a non-Born-Oppenheimer formulation of molecular structure theory using the Coupled Cluster method.

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N. Yngve Öhrn

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ohrn@qtp.ufl.edu

Professor Emeritus of Chemistry and Physics. His main research interest is in time-dependent descriptions of the interaction between electrons and nuclei using the Electron Nuclear Dynamics method and the theory of propagators.

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John R. Sabin

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sabin@qtp.ufl.edu

Professor Emeritus of Physics and Chemistry. His main research interest is in the interaction between high energy radiation and matter, in particular the stopping power of materials.

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Samuel B. Trickey

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trickey@qtp.ufl.edu

Professor Emeritus of Physics and Chemistry. Former QTP Director and, prior to that, Executive Director, Information Technologies and Services for University of Florida. Main research interests are free energy density functional theory and orbital-free DFT, applications of DFT to nanoscale systems, and methods of multi-scale simulations.

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