Condensed concepts

Rudolph Marcus died last week. He was 102. There is a nice obituary in The New York Times . He was best known for his theory of electron tra...

I was sad to hear last week that Professor  Noel Hush died at age 94. Noel [also known as Prof.] was a pioneer in theoretical chemistry and ...

Most papers about organic photovoltaics are full of discussion about HOMO's and LUMO's, their relative energies and spatial extents....

Different Ph.D and postdoctoral advisors/supervisors/mentors can have very different expectations of students/postdocs who work for/with the...

I used to regularly write posts about charge transport in organic electronic materials . Some of these generated lively discussion in the co...

The Big Bang Theory seems to be getting better all the time, both in terms of humour and scientific content. This weekend we watched The Ei...

Previously I have written several posts about charge transport in organic materials for plastic electronic and photovoltaic devices. This we...

There is an interesting looking perspective piece in Journal of Physical Chemistry Letters Intrinsic Charge Trapping in Organic and Polymer...

A recent post mentioned the paper  Low-k insulators as the choice of dielectrics in Organic Field-Effect Transistors   [by Veres et al.], i...

A key question about charge transport in organic molecular materials is: What is the relative importance of disorder and dielectric relaxa...

Professor Lawrie Lyons died last thursday in Brisbane. He was the Foundation Professor of Physical Chemistry at University of Queensland fro...

A very effective way to start learning what computational chemistry can and cannot do is to start doing hands on tutorials of concrete exa...

The Journal of Chemical Theory and Computation just published a paper, Conjugated Molecules Described by a One-Dimensional Dirac Equation I ...

Previously I have written posts about the important issue of understanding (and enhancing) the charge mobility of molecular materials. Key...

Rosa Di Felice gave an interesting talk about computational studies of the electronic structure of DNA based systems. A combined experimenta...

Next month I am going to India to speak at a School and Conference on “Emergent Properties and Novel Behavior at the Nanoscale” organised b...

Previously, I asked is organic semiconductors a misnomer ? One needs to be very careful about trying to apply the same concepts from inorgan...

A fundamental question concerning dye-sensitized solar cells is what determines the speed and efficiency with which charge is injected from ...

This title is deliberately provocative. It is keeping with the notion of multiple alternative hypotheses. I note the following concerning or...

A wide range of organic molecular materials such as pentacene and polythiophene are attracting considerable interest because of the prospect...