Wednesday, 29 April 2009

The Singularity is Near

If you want to know what's going on in the future you could read the book "The Singularity is Near" by Ray Kurzweil or check out his homepage. The Singularity is the point in time when artificial intelligence passes by human intelligence in all respects.[1] According to Kurzweil this happens about 2050. By then it is literally unnecessary to think. The process is probably gradual. We have long expanded our memory capacities by writing things down. Computational capacity is of course expanded and there are many things which we just don't learn any more, like taking square roots. Computers are already better chess players. Eventually computers will be better at everything but we will probably stay close connected.

Kurzweil describes three revolutions: genetics, nanotechnology, and robotics. You can first extend your health with genetics and biotechnology. The author takes something like 120 dietary supplements and 7 IV's a week. And because of that he did not really grow older during the last 20 years. Later you can use nanobots to fix everything that may have gone wrong. Finally you can upload your brain to a computer. And if you take frequent backups of your data, you will basically remain forever.

If you actually uploaded yourself, then of course your virtual appearance will be everything there is. Maybe that will be called web 3.0 or web 4.0 . But it cannot be denied that the web is moving into that direction.

The idea of wikipedia was to give everyone free access to the sum of all human knowledge. And actually it became all human knowledge in a matter of seconds to everyone at any place. Thanks to search engines using artificial intelligence and mobile internet, respectively. Just an example: I was arguing with my brother about the sugar content of tonic water. Ten years ago we would have gone to the store, bought a bottle, and looked it up. Now we could hear the shocking truth (tonic water has the same amount of sugar as coke) in a matter of seconds while driving on the high way. What will it be like ten years from now? The change will probably be even more drastic thanks to the law of accelerating returns. Maybe something like a mobile broadband brain tap internet connection.

So how will we react to artificial intelligence? I guess we will respect its feelings. Actually it even feels weird to say something mean to the IKEA lady. So we will probably be nice to a well programmed AI. The question if it is conscious is something different. The problem is that consciousness is something that cannot be scientifically adressed. Or how would you prove to someone that you are conscious?

So what will happen after that singularity? We will send nanobots around space. They will either go close to the speed of light. Or if the computers are smart enough, faster - e.g. through wormholes. And since there are no nanobots buzzing around everywhere, there are probably no aliens around (unless they chose to remain hidden).

Anyway, the point is that the future is probably totally different than it is now. And it probably makes sense to think more about the "deeply intertwined perils and promises" that these developments will bring. Technology will probably keep improving people's lifes. But weapons will also become more powerful and more difficult to control in case something goes wrong.



[1] Maybe you could also look at accelerating paradigm shifts. If they form a convergent series then there is one point in time where an infinite number of paradigm shifts will have happened. (Or at least quite a few if the convergent model is not quite correct.)

Wednesday, 8 April 2009

No Fluorescence (2)

So how is non-radiative decay possible? I showed the conical intersections of cytosine some time ago. These geometries, where the first excited and ground state are of the same energy, exist. But the chance of exactly reaching one is zero (since they are only an N-2 dimensional hyperline in the N-dimensional space of geometries of a molecule).

The point is that the picture of isolated electronic states breaks down, i.e. the Born-Oppenheimer approximation. In solid state chemistry that is what they call electron-phonon-coupling.

If you consider the nuclei in terms of an external perturbation, you can take at look at the adiabatic theorem: If nuclear motion is fast and there are close lying electronic states, the states will mix. You get the fast nuclear motion from the excitation energy. About close lying states: Typically all the excited states are close and the molecule quickly reaches S1 if it was initially excited to a higher state (Kasha's rule). If there are suitable intersections to the ground state it can even relax completely.

For doing molecular dynamics you need the energy of your electronic state Ψi as always. But you also need couplings to the other states:



They are called the non-adiabatic coupling vectors and give the major post Born-Oppenheimer contributions.

Here is a little dynamics movie. This is a test MCSCF run on cytosine. The electronic structure is from the Columbus program and the non-adiabatic surface-hopping dynamics are with Newton-X (both from our group actually).

The idea of surface-hopping is that we still want to have a classical trajectory as a basis, but post Born-Oppenheimer corrections are introduced through jumping in between states. Here you can see the cytosine molecule with color coded electronic states: green S1, orange S2. You see how the molecule jumps into the second excited state intermediately and then stays in the first excited state. There is a lot of motion because of the high excess energy.



There is no decay to the ground state in these 341 fs simulated. It should happen soon after or tanning would be extremely dangerous. But the time simulated is still rather short, it is for example a ten-thousandth of the typical fluorescence life-time.