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My main research interests are in cluster structure and dynamics. Using methods of computer simulation such as molecular dynamics and Monte Carlo, I investigate a wide variety of cluster phenomena including solvation dynamics and spectral signatures of solvation (SF6Arn, aniline-Arn); melting of microclusters (Arn and (CO2)n); photodissociation dynamics and caging in both neutral and ionic clusters (e.g., Br2Arn, Br2-(CO2)n); and evaporation processes in rare gas clusters. Recent work includes a detailed investigation into evaporation processes, comparing simulation results with various levels of rate theory. This work leads us to speculate that the melting transition in "magic" clusters could be pinpointed by experiments designed to measure the kinetic energy release in the evaporation process.
Emerging interests include simulations of interfacial adsorbates on surfaces, the study of tip/surface interactions in atomic force microscopy, as well as new areas of cluster science such as vibronic coupling in metallic clusters and mixed clusters such as (N2)nArm. Other current work includes the structure of mixed rare gas clusters such as XenArm--we are modelling the photoelectron spectra of these clusters measured by a group in Sweden.
I am currently working on the University of Maine's Chemistry Department's Inter-Chem-Net project which provides an infrastructure for making networked chemical instrumentation such as UV-vis and FT-IR spectrometers accessible to all the students in our general chemistry program. We also have NSF support for Peer Led Team Learning groups in the General Chemistry Course. I am a member of the recently established University of Maine's Center for Science and Mathematics Education Research (CSMER) and on the Advisory Board for the University of Maine's Center for Teaching Excellence.
Selected Publications
James Nadeau (MST, 2007)
Former Students
Matt Leland (MST, 2006)
TJ Preston (BS, 2006)
Jue Wang (Bangor High, 2005)
Barbara Stewart (Ph.D., 2004)
James Smaby (2001-2004)
Jinasena Hewage (Ph.D., 2002)
Jinglin Yang (M.S., 1997)
Pascal Parneix (Ph.D., University of Paris, 1993)
Nadarajah Ravindrakumar (M.S., 1993)
Samantha Weerasinghe, (Ph.D., 1992)
Philippe Bréchignac (University of Paris)
Mitchell Bruce (University of Maine)
Florent Calvo (University of Toulouse)
Evan Bieske (University of Melbourne)
Brian Frederick (University of Maine)
Pascal Parneix (University of Paris)
Gérard Torchet (University of Paris)
Peter Whitkop (University of Maine)
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