Degrees:
2006
Doctorate Physics
2002
Master Physics
2000
Undergraduate Physics
Publications resulting from Research
Materials discovery and modeling
Silver clusters stabilized by DNA complexes are nanobiosystemas that have attracted much attention due to their high fluorescence, good photostability, low toxicity and low cost. Lopez Acevedo’s group in collaboration with X. Chen in Aalto University have determined computationally several atomic structures for the silver clusters stabilized in DNA complexes that reproduce the chiroptical measured spectrum. In addition, they proposed the existence of novel stabilizing hydrogen bond in metal-DNA helices termed “interbase bond” linking neighboring bases in the DNA ladder. The bond is crucial in the stabilization of such organo-metallic nanomaterial and has been confirmed later by crystal determination. Related publications as corresponding author:
Physical Review Materials 4 (6), 065601 (2020).
Journal of Physical Chemistry Letters 9 (16), 4789 (2018).
Journal of Physical Chemistry Letters 6 (20), 4061 (2015).
As postdoctoral researcher in Hannu Häkkinen’s group she participated in the proposal of the superatom model to explain the stability of ligand protected metal clusters. The model opened the path to computational prediction of the atomic configuration of metal organic clusters of which she proposed the structures of Au38SR24 and Au144SR60. As first author she also applied the concept of superatom to model catalytic CO2 conversion.
Related publications as first author:
Journal of the American Chemical Society 132 (23), 8210-8218 (2010).
Nature chemistry 2 (4), 329 (2010).
Journal of the American Chemical Society 131 (35), 12573-12575 (2009).
Method Development
Orbital-free DFT is a fast quantum method that have potential to achieve simulation of millions of atoms but requires improvement of precision. Lopez Acevedo and PhD student J. Lehtomäki showed the use of an exact constraint coming from semiclassical physics allows the removal of empirical parameters of gradient-based kinetic density Orbital-free functionals. In addition Lopez-Acevedo’s group have proposed and implemented a method to access an all-electron calculation of the orbital-free Density Functional. Related publications as corresponding author:
Physical Review B 151 (24), 244101 (2019).
Journal of Chemical Physics 141 (23), 234102 (2014).
Lopez Acevedo’s group proposed a statistical way to remove spurious exchange-correlation dependent excitations in Circular Dichroism simulations. The method allows the accurate simulation of Circular Dichroism of molecules of intermediate size, like nanobiosystems, that can be used to assess computational atomic predictions. Related publication as corresponding author:
International Journal of Molecular Sciences 19 (8), 2346 (2018).
Silver clusters stabilized by DNA complexes are nanobiosystemas that have attracted much attention due to their high fluorescence, good photostability, low toxicity and low cost. Lopez Acevedo’s group in collaboration with X. Chen in Aalto University have determined computationally several atomic structures for the silver clusters stabilized in DNA complexes that reproduce the chiroptical measured spectrum. In addition, they proposed the existence of novel stabilizing hydrogen bond in metal-DNA helices termed “interbase bond” linking neighboring bases in the DNA ladder. The bond is crucial in the stabilization of such organo-metallic nanomaterial and has been confirmed later by crystal determination. Related publications as corresponding author:
Physical Review Materials 4 (6), 065601 (2020).
Journal of Physical Chemistry Letters 9 (16), 4789 (2018).
Journal of Physical Chemistry Letters 6 (20), 4061 (2015).
As postdoctoral researcher in Hannu Häkkinen’s group she participated in the proposal of the superatom model to explain the stability of ligand protected metal clusters. The model opened the path to computational prediction of the atomic configuration of metal organic clusters of which she proposed the structures of Au38SR24 and Au144SR60. As first author she also applied the concept of superatom to model catalytic CO2 conversion.
Related publications as first author:
Journal of the American Chemical Society 132 (23), 8210-8218 (2010).
Nature chemistry 2 (4), 329 (2010).
Journal of the American Chemical Society 131 (35), 12573-12575 (2009).
Method Development
Orbital-free DFT is a fast quantum method that have potential to achieve simulation of millions of atoms but requires improvement of precision. Lopez Acevedo and PhD student J. Lehtomäki showed the use of an exact constraint coming from semiclassical physics allows the removal of empirical parameters of gradient-based kinetic density Orbital-free functionals. In addition Lopez-Acevedo’s group have proposed and implemented a method to access an all-electron calculation of the orbital-free Density Functional. Related publications as corresponding author:
Physical Review B 151 (24), 244101 (2019).
Journal of Chemical Physics 141 (23), 234102 (2014).
Lopez Acevedo’s group proposed a statistical way to remove spurious exchange-correlation dependent excitations in Circular Dichroism simulations. The method allows the accurate simulation of Circular Dichroism of molecules of intermediate size, like nanobiosystems, that can be used to assess computational atomic predictions. Related publication as corresponding author:
International Journal of Molecular Sciences 19 (8), 2346 (2018).