Martina Roeselová

Talks and Posters

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2007

Molecular modeling of processes at the air/water and air/ice interfaces (invited talk)
ECONET Meeting
Szeged, Hungary, May 2-4, 2007

Modeling structure and gas phase uptake at aqueous and organic atmospheric surfaces by molecular dynamics simulations. (oral presentation)
European Geosciences Union General Assembly
Vienna, Austria, April 15-20, 2007

Modeling heterogeneous atmospheric processes by molecular dynamics simulations.
1. Oxidation of aqueous NaBr aerosol by ozone; 2. Solvation of alkyl bromides at the air/water interface (poster)
European Geosciences Union General Assembly
Vienna, Austria, April 15-20, 2007

Aerosols and atmospheric chemistry: Molecular level computer modeling (invited talk)
UK-V4 Frontiers of Science Symposium
Krakow, Poland, February 21-23, 2007

Uptake of gases at aqueous surfaces: Molecular dynamics simulations with atmospheric implications (poster)
Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias
Gordon Research Conference Chemical Reactions at Surfaces
Ventura, California, February 11-16, 2007

Uptake of gases at aqueous surfaces: Molecular dynamics simulations with atmospheric implications (poster)
Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias
24th Informal Symposium on Kinetics and Photochemical Processes in the Atmosphere
California State University, Los Angeles, February 9, 2007

2006

Modeling structure and dynamics of atmospheric surfaces by molecular dynamics simulations. (invited talk)
AirUCI Annual Workshop
Christchurch, New Zealand, December 11-12, 2006

Uptake and solvation of OH and O₃ at the air/water interface from molecular dynamics simulations. (poster)
Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias
Joint CACGP / IGAG / WMO Symposium Atmospheric Chemistry at the Interfaces
Cape Town, South Africa, September 17-23, 2006

Uptake and solvation at the air-water interface from molecular dynamics simulations (invited talk)
Telluride Workshop on Molecular Aspects of Solvation in Hydrogen-Bonded Systems.
Telluride, Collorado, August 6-11, 2006

Solvation of nitrate ion and hydroxyl radical at the air/water and air/ice interface (poster)
Roeselova M., Thomas J., Dang L.X., Chang T.-M., Garrett B.C., Tobias D.J.
11th International Conference on the Physics and Chemistry of Ice
Bremerhaven, Germany, July 23-28, 2006

Solvation properties of alkyl bromides in bulk water and at the air/water interface. (invited talk)
ACS National Meeting
Atlanta, Georgia, March 23-30, 2006

Solvation of atmospherically relevant inorganic species in water clusters, aqueous solutions and at interfaces. (seminar)
Leipzig Meteorological Colloquium
Leipzig, Germany, February 2, 2006

2005

Atmospheric oxidants at the air/water interface: Aqueous solvation and accommodation of OH and O₃ from molecular dynamics simulations (invited talk)
Pacifichem 2005
Honolulu, Hawaii, December 15-20, 2005

Chemistry of Mixed Sodium Chloride and Sodium Nitrate Aerosol Particles: Impacts of a Secondary Inorganic Ion on Gas Phase Chlorine Production (poster)
L. M. Wingen, A. C. Moskun, J. Thomas, M. Roeselova, D. J. Tobias, B. J. Finlayson-Pitts
2005 AGU Fall Meeting
San Francisco, California, December 5-9, 2005

Solvation of Atmospherically Relevant Inorganic Species in Water Clusters, Aqueous Solutions and at Interfaces (seminar)
Pacific Northwest National Laboratory, Richland, Washinghton, November 8, 2005

Research overview and Grand Challenges for Chemistry and Sustainability (short presentation)
NSF worshop on Chemistry and Sustainability
Pacific Northwest National Laboratory, Richland, Washinghton, November 3-4, 2005

Solvation of OH and O₃ in bulk water and at the air-water interface from molecular dynamics simulations. (poster)
Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias
Gordon Research Conference - Dynamics at Surfaces
Proctor Academy, Andover, New Hampshire, USA, August 14-19, 2005

Hydroxyl radical and ozone at the air/water interface. (oral presentation)
EMSI worshop "Ions and Molecules at Aqueous Interfaces
Prague, June 25-30, 2005

Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias; Solvation of O₃ and OH in bulk water and at the air-water interface from molecular dynamics simulations. (poster)
Faraday Discussion 130 - Atmospheric Chemistry
University of Leeds, UK, April 11-13, 2005

2004

Sherri W. Hunt, William H. Robertson, Martina Roeselova; Reactions of ozone and hydroxyl radical with sea salt aerosol: Experiments, simulations, and implications. (oral presentation)
CRC Workshop on Chemistry at Interfaces
Newport Beach, California, June 29, 2004

Oxidation of NaBr aerosol by ozone: Importance of a surface reaction. (contributed talk)
59^th Ohio State University International Symposium on Molecular Spectroscopy
Columbus, Ohio, June 21-25, 2004

Trapping of Hydroxyl Radical and Ozone at Salt Aerosol Surfaces: A Molecular Dynamics Study. (invited talk)
227^th ACS National Meeting, Division of Computers in Chemistry
Anaheim, California, USA, March 28 - April 1, 2004

M. Roeselova, S. W. Hunt, W. Wang, L. M. Wingen, E. M. Knipping, D. J. Tobias, D. Dabdub, B. J. Finlayson-Pitts; Oxidation of Aqueous NaBr Aerosol by Ozone: Theoretical and Experimental Study. (poster)
21^st Informal Symposium on Kinetics and Photochemical Processes in the Atmosphere
California State University, Fullerton, USA, February 24, 2004

2003

M. Roeselova, D. J. Tobias, R. B. Gerber, P. Jungwirth; Trapping of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (poster)
Gordon Research Conference on Atmospheric Chemistry
Big Sky, Montana, USA, September 7-12, 2003

Impact, Trapping, and Accommodation of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (invited talk)
ACCESS VII, 2003 Atmospheric Chemistry Colloquium for Emerging Senior Scientists
Mamooth Hot Springs, Yellowstone National Park, Wyoming, USA, September 4-7, 2003

Trapping of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (group seminar)
Department of Chemistry (Prof. B.J. Finlayson_Pitts)
University of California, Irvine, USA, May 6, 2003

M. Roeselova, D. J. Tobias, R. B. Gerber, P. Jungwirth; Adsorption of Ozone and OH Radical on Aqueous Sea Salt Aerosols. (poster)
1^st Pittsburgh-Prague Symposium on Complex Molecular Systems
Villa Lanna, Prague, Czech Republic, February 5-10, 2003

2002

Electron photodetachment in halogen-water complexes: From classical to quantum description. (oral presentation)
Quantum Dynamical Concepts: From Diatomics to Biomolecules
Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002

M. Mucha, M. Roeselova, B. Schmidt, P. Jungwirth; Quantum dynamics and ZEKE spectra of Cl^-...H₂O complex. (poster)
Quantum Dynamical Concepts: From Diatomics to Biomolecules
Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002

M. Roeselova, U. Kaldor, P. Jungwirth; Halogen anions in small water clusters: Relaxation upon electron photodetachment. (poster)
Quantum Dynamical Concepts: From Diatomics to Biomolecules
Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002

Electron photodetachment and ZEKE spectroscopy in small halogen-water clusters. (group seminar)
Department of Chemistry (host: Prof. N. Moiseyev)
Technion, Haifa, Israel, January 2002

Electron photodetachment in halogen-water clusters: From classical to quantum description. (seminar)
Fritz Haber Center for Molecular Dynamics Research
Hebrew University, Jerusalem, Israel, January 2002

2001

Electron photodetachment in halogen-water clusters: From classical to quantum description. (oral presentation)
3rd Czech-Israeli Biannual Conference on Biomolecules in the Gas Phase and Complex Molecular Systems
Prague, Czech Republic, April 2001

2000

Sea salt aerosols and the production of molecular chlorine. (group seminar)
Department of Chemistry (host: Prof. Barbara J. Finnlayson-Pitts)
University of California Irvine, USA, September 2000

M. Roeselova, U. Kaldor, P. Jungwirth; Halogen anions in small water clusters: Relaxation upon electron photodetachment. (poster)
EPA Graduate Student Symposium 2000
Fribourg, Switzerland, February 23-26, 2000

1999

Chlorine anion in small water clusters: Dynamics following electron photodetachment. (group seminar)
Institute of Physical and Theoretical Chemistry (host: Prof. J. Manz)
Freie Universität Berlin, Germany, May 1999

1998

Relaxation of Cl- in water clusters upon electron photodetachment. (oral presentation)
Second Czech-Israeli Workshop on Chemical Dynamics
Jerusalem, Israel, May 3-5, 1998

1997

M. Roeselova, M. Roesel, P. Jungwirth, U. Kaldor; Relaxation of solvated halogens in water upon electron photodetachment: The potential energy surfaces of Cl...H₂O. (poster)
Czech-Israeli-German Symposium on Dynamical Processes in Condensed Molecular Systems
Prague, Czech Republic, May 26-30, 1997

	Molecular modeling of processes at the air/water and air/ice interfaces (invited talk) ECONET Meeting Szeged, Hungary, May 2-4, 2007
	Modeling structure and gas phase uptake at aqueous and organic atmospheric surfaces by molecular dynamics simulations. (oral presentation) European Geosciences Union General Assembly Vienna, Austria, April 15-20, 2007
	Modeling heterogeneous atmospheric processes by molecular dynamics simulations. 1. Oxidation of aqueous NaBr aerosol by ozone; 2. Solvation of alkyl bromides at the air/water interface (poster) European Geosciences Union General Assembly Vienna, Austria, April 15-20, 2007
	Aerosols and atmospheric chemistry: Molecular level computer modeling (invited talk) UK-V4 Frontiers of Science Symposium Krakow, Poland, February 21-23, 2007
	Uptake of gases at aqueous surfaces: Molecular dynamics simulations with atmospheric implications (poster) Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias Gordon Research Conference Chemical Reactions at Surfaces Ventura, California, February 11-16, 2007
	Uptake of gases at aqueous surfaces: Molecular dynamics simulations with atmospheric implications (poster) Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias 24th Informal Symposium on Kinetics and Photochemical Processes in the Atmosphere California State University, Los Angeles, February 9, 2007

	Modeling structure and dynamics of atmospheric surfaces by molecular dynamics simulations. (invited talk) AirUCI Annual Workshop Christchurch, New Zealand, December 11-12, 2006
	Uptake and solvation of OH and O₃ at the air/water interface from molecular dynamics simulations. (poster) Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias Joint CACGP / IGAG / WMO Symposium Atmospheric Chemistry at the Interfaces Cape Town, South Africa, September 17-23, 2006
	Uptake and solvation at the air-water interface from molecular dynamics simulations (invited talk) Telluride Workshop on Molecular Aspects of Solvation in Hydrogen-Bonded Systems. Telluride, Collorado, August 6-11, 2006
	Solvation of nitrate ion and hydroxyl radical at the air/water and air/ice interface (poster) Roeselova M., Thomas J., Dang L.X., Chang T.-M., Garrett B.C., Tobias D.J. 11th International Conference on the Physics and Chemistry of Ice Bremerhaven, Germany, July 23-28, 2006
	Solvation properties of alkyl bromides in bulk water and at the air/water interface. (invited talk) ACS National Meeting Atlanta, Georgia, March 23-30, 2006
	Solvation of atmospherically relevant inorganic species in water clusters, aqueous solutions and at interfaces. (seminar) Leipzig Meteorological Colloquium Leipzig, Germany, February 2, 2006

	Atmospheric oxidants at the air/water interface: Aqueous solvation and accommodation of OH and O₃ from molecular dynamics simulations (invited talk) Pacifichem 2005 Honolulu, Hawaii, December 15-20, 2005
	Chemistry of Mixed Sodium Chloride and Sodium Nitrate Aerosol Particles: Impacts of a Secondary Inorganic Ion on Gas Phase Chlorine Production (poster) L. M. Wingen, A. C. Moskun, J. Thomas, M. Roeselova, D. J. Tobias, B. J. Finlayson-Pitts 2005 AGU Fall Meeting San Francisco, California, December 5-9, 2005
	Solvation of Atmospherically Relevant Inorganic Species in Water Clusters, Aqueous Solutions and at Interfaces (seminar) Pacific Northwest National Laboratory, Richland, Washinghton, November 8, 2005
	Research overview and Grand Challenges for Chemistry and Sustainability (short presentation) NSF worshop on Chemistry and Sustainability Pacific Northwest National Laboratory, Richland, Washinghton, November 3-4, 2005
	Solvation of OH and O₃ in bulk water and at the air-water interface from molecular dynamics simulations. (poster) Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias Gordon Research Conference - Dynamics at Surfaces Proctor Academy, Andover, New Hampshire, USA, August 14-19, 2005
	Hydroxyl radical and ozone at the air/water interface. (oral presentation) EMSI worshop "Ions and Molecules at Aqueous Interfaces Prague, June 25-30, 2005
	Martina Roeselova, John Vieceli, Nick Potter, Liem X. Dang, Bruce C. Garrett, Douglas J. Tobias; Solvation of O₃ and OH in bulk water and at the air-water interface from molecular dynamics simulations. (poster) Faraday Discussion 130 - Atmospheric Chemistry University of Leeds, UK, April 11-13, 2005

	Sherri W. Hunt, William H. Robertson, Martina Roeselova; Reactions of ozone and hydroxyl radical with sea salt aerosol: Experiments, simulations, and implications. (oral presentation) CRC Workshop on Chemistry at Interfaces Newport Beach, California, June 29, 2004
	Oxidation of NaBr aerosol by ozone: Importance of a surface reaction. (contributed talk) 59^th Ohio State University International Symposium on Molecular Spectroscopy Columbus, Ohio, June 21-25, 2004
	Trapping of Hydroxyl Radical and Ozone at Salt Aerosol Surfaces: A Molecular Dynamics Study. (invited talk) 227^th ACS National Meeting, Division of Computers in Chemistry Anaheim, California, USA, March 28 - April 1, 2004
	M. Roeselova, S. W. Hunt, W. Wang, L. M. Wingen, E. M. Knipping, D. J. Tobias, D. Dabdub, B. J. Finlayson-Pitts; Oxidation of Aqueous NaBr Aerosol by Ozone: Theoretical and Experimental Study. (poster) 21^st Informal Symposium on Kinetics and Photochemical Processes in the Atmosphere California State University, Fullerton, USA, February 24, 2004

	M. Roeselova, D. J. Tobias, R. B. Gerber, P. Jungwirth; Trapping of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (poster) Gordon Research Conference on Atmospheric Chemistry Big Sky, Montana, USA, September 7-12, 2003
	Impact, Trapping, and Accommodation of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (invited talk) ACCESS VII, 2003 Atmospheric Chemistry Colloquium for Emerging Senior Scientists Mamooth Hot Springs, Yellowstone National Park, Wyoming, USA, September 4-7, 2003
	Trapping of Hydroxyl Radical and Ozone at Salt Aerosol surfaces: A Molecular Dynamics Study. (group seminar) Department of Chemistry (Prof. B.J. Finlayson_Pitts) University of California, Irvine, USA, May 6, 2003
	M. Roeselova, D. J. Tobias, R. B. Gerber, P. Jungwirth; Adsorption of Ozone and OH Radical on Aqueous Sea Salt Aerosols. (poster) 1^st Pittsburgh-Prague Symposium on Complex Molecular Systems Villa Lanna, Prague, Czech Republic, February 5-10, 2003

	Electron photodetachment in halogen-water complexes: From classical to quantum description. (oral presentation) Quantum Dynamical Concepts: From Diatomics to Biomolecules Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002
	M. Mucha, M. Roeselova, B. Schmidt, P. Jungwirth; Quantum dynamics and ZEKE spectra of Cl^-...H₂O complex. (poster) Quantum Dynamical Concepts: From Diatomics to Biomolecules Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002
	M. Roeselova, U. Kaldor, P. Jungwirth; Halogen anions in small water clusters: Relaxation upon electron photodetachment. (poster) Quantum Dynamical Concepts: From Diatomics to Biomolecules Max-Planck-Institute for Physics of Complex Systems, Dresden, Germany, April 2 - May 3, 2002
	Electron photodetachment and ZEKE spectroscopy in small halogen-water clusters. (group seminar) Department of Chemistry (host: Prof. N. Moiseyev) Technion, Haifa, Israel, January 2002
	Electron photodetachment in halogen-water clusters: From classical to quantum description. (seminar) Fritz Haber Center for Molecular Dynamics Research Hebrew University, Jerusalem, Israel, January 2002

	Sea salt aerosols and the production of molecular chlorine. (group seminar) Department of Chemistry (host: Prof. Barbara J. Finnlayson-Pitts) University of California Irvine, USA, September 2000
	M. Roeselova, U. Kaldor, P. Jungwirth; Halogen anions in small water clusters: Relaxation upon electron photodetachment. (poster) EPA Graduate Student Symposium 2000 Fribourg, Switzerland, February 23-26, 2000