**Recent Presentations**

219^{th} ACS National Meeting, San Francisco,
CA, “Classical Molecular Dynamics in General Curvilinear Internal Coordinates”,
Book of Abstracts, March 26-30, 2000 (oral)

219^{th} ACS National Meeting,

83^{rd} Canadian Chemical Society for
Chemistry Conference,

29^{th} Southeast Theoretical Chemistry
Association,

XXV^{th} European Congress on Molecular Spectroscopy,

First Annual F. Torok
Lecture,

Novartis Pharmaceutical,

221^{st} National American Chemical
Society Meeting, San Diego, CA,
“Accurate Quantum Chemistry in Plane Wave and Augmented Plane Wave Basis
sets, April 1-5, 2001

Institute for Coal Research,

Molecular Quantum Mechanics: The Right Answer for
the Right Reason,

10^{th}
CCTCC Meeting, "Local Electron Correlation",

Frontiers
in Theoretical Chemistry,

223^{rd}
American Chemical Society National Meeting, Orlando, Florida, "Calculation
of Second-Order Moller-Plesset Energies for Large
Molecules" (with J. Baker, S. Saebo and K. Wolinski), April 7-11, 2002 (invited).

223^{rd} American Chemical Society National Meeting,

2002
Air Force Office of Scientific Research Molecular Dynamics Contractors Review,
"Efficient Parallel Calculation of Canonical MP2 Energies", (with J.
Baker),

Workshop on Molecular Geometry Optimization,

WATOC02,

The
Welch Foundation 46^{th} Conference on Chemical Research, Houston,
Texas, "Electron Correlation Methods for Large Systems", October
28-29, 2002 (invited).

Vibrations
and Quanta,

225^{th} American Chemical Society National Meeting,

225^{th} American Chemical Society National Meeting,

Molecular
and Solid State Quantum Chemsitry,

XIth
International Congress of Quantum Chemistry,

Annual
Meeting of the Polish Chemical Society,

Virginia
Polytechnic Institute and

Theory
and Application of Computational Chemistry (TACC-2004),

Korean
Advanced Institute of Science and Technology,

2004
Asia-Pacific Conference on Theoretical Chemistry, “Using Plane Waves in
Molecular Quantum Chemistry”,

228^{th}
National American Chemical Society Meeting,

Local
Correlation Methods from Molecules to

Southwest Regional ACS Meeting, Forth Worth,

13^{th}
Conference on Current Trends in Computational Chemistry, *Density Functional and
Configuration-Based Methods for Large Systems*, Nov. 12-13, 2004, (invited,
meeting dedicated to P. Pulay)

7^{th}
WATOC (World Association of Theoretical and Computational Chemists) Conference,
Cape Town, South Africa, *New Methods for ab initio and Density Functional Calculations on Large
Molecules*, Jan. 16-21, 2005 (invited, Schrödinger Medal award talk)

229^{th}
National American Chemical Society Meeting, *Calculation of the Dispersion Energy
Between Large Molecules: Graphene Plates
and the Grapheme—water System*, March 13-17, 2005 (invited)

First
NAREGI International Nanoscience Conference, *Calculation of the Dispersion Interaction
in Large Molecules*, June 14-17, 2005 (invited)

*Efficient
methods for electronic structure calculations: Density Functional Theory and
Coupled Cluster Calculations*, July 15, 2005 (invited)

*New methods for large-scale electronic
structure calculations,* July 22, 2005 (invited)

230^{th}
National American Chemical Society National Meeting, *Optimization of Molecular Clusters and Supramolecular Assemblies Using Inverse Power Coordinates*,
Aug. 28-

232^{nd}
ACS National Meeting, __P. Pulay__, *Parallel Calculation of coupled Cluster Energies Using Array Files*,
Sept. 10-14, 2006.

232^{nd}
ACS National Meeting, *Ab** initio calculation and interpretation of vibrational circular dichroism
spectroscopy parameters*, Sept. 10-14, 2006.

232^{nd}
ACS National Meeting,

232^{nd}
ACS National Meeting, *Theoretical
study of the binding of ligands to zinc sulfide nanoparticles, Sept*. 10-14,
2006.

232^{nd}
ACS National Meeting, *An efficient parallel coupled cluster program for distributed memory
computers,* T. Janowski and P. Pulay,

232^{nd}
ACS National Meeting, *A fast and
reliable method for predicting pKa values, Sept*. 10-14, 2006.

*Theoretical studies of **p stacking and weak interactions*,

*The calculation pKa
values in drug-like molecules*, Feb. 9, 2007 (invited).

Analytic Gradients and Beyond, Budapest, Hungary, *Large Coupled Cluster Calculations on Inexpensive Parallel Computers:
Applications to Weak Interactions*, May 29-June 3, 2007(invited).

IXth International Conference on Molecular Spectroscopy, *Interplay between theory and experiment
in molecular spectroscopy*, Sept. 12-16, 2007 (invited)

Sanibel Symposia, __Pulay____, P.__ *An Efficient Parallel
Implementation of M(B)P(T)2 and Coupled Cluster
Energies: Applications to Weak Interactions,* Febr.
21-26, 2008 (invited).

235^{th} ACS National Meeting, New Orleans, LA, United States,
April 6-10, 2008,.Pulay, P., Ford, A. R.; Chuma, A.
M. *Two
applications of computational spectroscopy:
IR spectra of polycyclic aromatic hydrocarbons, and protein structural
information from NMR shifts*.
(Invited)

Central European school on Physical Chemistry, __Pulay____,
P.__, *Pi interactions, from the benzene
dimer and benzene-water complex to graphene sheets*, June 8-12, 2008 (Invited).

*Studies of Pi Stacking and Weak
Interactions by Large-Scale ab initio Calculations*, , June 13, 2008 (Invited)

236^{th} ACS National Meeting, *Predicting** the acid dissociation constants for
drug-like molecules. * August 17-21,
2008.

WATOC (World Association of Theoretical and Computational Chemists)
Triennial Congress, *Quantum Chemistry in Parallel* *with PQS ,* Sept. 14-19. (Invited)

__ __, Janowski, T.,*
Efficient Parallel Implementation of Coupled Cluster and MP2 Energies:
Applications to Weak Interactions*, Sept. 22, 2008 (Invited).

TACC (Theory and Applications of Computational Chemistry) quadrennial
conference, *Efficient Monte Carlo Simulations of Molecules in Solution*, Sept.
23-27, 2008 (Invited).

Simulations and Dynamics for Nanoscale and Biological Systems, *Ultrafast Monte
Carlo simulation of solvated molecules*, March 3-6, 2009 (Invited).

*Adventures in Computational Chemistry*:* The World of Weak Interactions,* March
19, 2009 (invited).

237^{th} ACS National Meeting, *Ultrafast Monte Carlo
Simulation of Solvated Molecules*, March 22-27, 2009 (Invited).

Modeling Reactivity from gas
Phase to Biomolecules and Solids, *Efficient Atomic Simulation of Solvent
Effects*, June
29-July 3, 2009 (Invited).

Seventh Computational Chemistry Conference of
*Interaction Between Aromatic Sheets*, July 20-24, 2009 (Invited).

Molecular Theory for Real Systems, Fukui Institute, __Pulay____,
P__. *Accuracy and Efficiencyof
the First and Second Order Approximations in Ultrafast QM/MM Simulations of Solvated
Molecules*, January 7-9, 2010 (invited).

Fiftieth Sanibel Conference, __Pulay____,
P__.,* Laplace
Transform Calculation of the Perturbational Triples(T) Contributions to Coupled Cluster Energies*,
Feb. 24-March 2, 2010 (invited).

Twenty-third Austin Symposium on Molecular Structure and Dynamics, __Pulay____,
P__., *Infrared Spectra of Polycondemnsed Aromatic Hydrocarbons*, March 6-9, 2010.

First Principles Quantum Chemistry: from Elementary Reactions to Enzymes , Bad Herrenalb, *Revisiting Natural Orbitals
in Electron Correlation Theory*, April 14-17, 2010 (opening lecture,
invited).

Harry King Symposium, *Accurate Calculation of Pi-Pi
Stacking Interaction. Alternative Methods for Calculating the Perturbational Triples Contributions*, May 10-11, 2010 (opening
lecture, invited).

Molecular Quantum Mechanics 2010: From Methylene
to DNA and Beyond, __ulay____,
P.__ *Laplace** Transform Calculation of the Perturbational Triples (T) Contribution*, May 24-29,
2010.

*Te Calculation of Weak Interactions ,* Aug. 20, 2010 (invited).

*Accurate Calculation of Pi-Pi Stacking and Other Noncovalent
Interactions*, Sept. 15, 2010 (invited).