Dear Colleagues,
Dear All,
For your information, I am attaching the reprint of our Science paper just appeared online today, and the highlight.
The paper is well highlighted in a Perspective written by two Spanish readers, who pointed out quite well the contributions and role of theoretical results in the interpretation of three different sets of spectroscopic data.
Our computational work started around 2011 when Cuong was doing his Ph D in Leuven. Computational results of silver clusters (pure, doped and embedded in zeolites) made chapters of his Ph D thesis.
We were not of course working full time on this project, only coming back to it when some new experimental data were recorded by other groups. It was on and off many times, testing our patience in pursuing the project!
The last computations, both DFT and CASPT2, needed for refining the theoretical model based on electronic excitations and able to interpret the photo-luminescence and single molecule spectroscopic results from the last experiments, were done by Cuong at the Center for Computational Science, Dai Hoc Su Pham Ha Noi.
I would hope that this work would stimulate / motivate our younger computationalist colleagues in Vietnam to achieve better papers in top journals. To enlarge the scope of your work, a cooperation with some good experimental groups is needed (experimental groups who can run good experiments, and are able to ask challenging questions!).
I would also hope that university / research institute managers in Vietnam are more convinced about the fact that theoretical / computational research is essential in modern science and technology.