Friday, April 15, 2016 - 10:30am - 11:30am
Hideo Mabuchi (Stanford University)
The evolution from classical to quantum information technology will be greatly facilitated by the formulation of incremental approaches to making the transition. This is a far greater challenge than might seem apparent, as today we know only of completely classical and fully quantum-mechanical models as practically sensible computing paradigms and the jump to fully-quantum hardware implementations lies well beyond our current technological capabilities. There is not even a convincing road map for getting there.
Monday, August 10, 2015 - 10:10am - 10:30am
Vera Nuebel (Hilti Corporation)
Saturday, November 1, 2008 - 5:30pm - 6:00pm
Alán Aspuru-Guzik (Harvard University)
Transport phenomena at the nanoscale are of interest due to the presence of
both quantum and classical behavior. In this work, we demonstrate that
quantum transport efficiency can be enhanced by a dynamical interplay of the
system Hamiltonian with the pure dephasing dynamics induced by a fluctuating
environment. This is in contrast to fully coherent hopping that leads to
localization in disordered systems, and to highly incoherent transfer that
is eventually suppressed by the quantum Zeno effect. We study these
Friday, October 3, 2008 - 1:45pm - 2:35pm
Alán Aspuru-Guzik (Harvard University)
The exact simulation of quantum mechanical systems on classical computers generally scales exponentially with the size of the system N. Using quantum computers, the computational resources required to carry out the simulation are polynomial. Our group has been working in the development and characterization of quantum computational algorithms for the simulation of chemical systems.
Monday, September 29, 2008 - 10:35am - 11:25am
Roland Lindh (Lund University)
In this presentation I will give a review of the Cholesky Decomposition (CD) as it has
been implemented in the MOLCAS program package. These examples will include conventional CD, as
implemented for the HF, CASSCF, MP2, DFT, CASPT2 and CC methods, to the recent 1-center CD
approximation. In addition, the aCD abd acCD techniques for the on-the-fly generation of RI
auxiliary basis functions will be discussed. Analytic CD gradients will be introduced for
CD-HF, CD-DFT(pure and hybrid), and CD-CASSCF. If time allows I will briefly discuss the
Tuesday, September 30, 2008 - 9:00am - 9:50am
Martin Head-Gordon (University of California, Berkeley)
Wave function-based quantum chemistry has two traditional lines of
development – one based on molecular orbitals (MO's), and the other on
valence bond (VB) theory. Both offer advantages and disadvantages for
the challenging problem of describing strong correlations, such as the
breaking of chemical bonds, or the low-spin (antiferromagnetic)
coupling of electrons on different centers.

Within MO methods, strong correlations can be viewed as those arising
within a valence orbital active space. One reasonable definition of
Friday, September 26, 2008 - 9:00am - 10:30am
Alexander Nemukhin (Moscow State University)
My task is to discuss the basic principles of Quantum Mechanics
which are crucial for the electronic structure theory. The following
topics will be covered: the correspondence principle which connects
Classical Mechanics and Quantum Mechanics; the uncertainty principle and
related questions; the superposition principle. We shall discuss the
Hilbert space of wavefunctions, and the operators associated with the
observables. We shall illustrate the theory by considering the properties
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