Adam J. Bridgeman

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To develop a force field suitable both for polyoxometalates (POMs) and organic cations, the Merck molecular force field 94x (MMFF94x) has been selected to describe the counterions used in POMs synthesis and has been combined with our force field optimized for type-II POMs with electrostatic and Van der Waals interactions included in the potential.(More)
The use of analytics to support learning has been increasing over the last few years. However, there is still a significant disconnect between what algorithms and technology offer and what everyday instructors need to integrate actionable items from these tools into their learning environments. In this paper we present the evolution of the Student(More)
Energy-dependent patterns in the arrival directions of cosmic rays are searched for using data of the Pierre Auger Observatory. We investigate local regions around the highest-energy cosmic rays with E ≥ 6×10 19 eV by analyzing cosmic rays with energies above E ≥ 5×10 18 eV arriving within an angular separation of approximately 15 •. We characterize the(More)
In this study, we have focussed on type-II polyanions such as [M(7)O(24)](6-), and we have developed and validated optimized force fields that include electrostatic and van der Waals interactions. These contributions to the total steric energy are described by the nonbonded term, which encompasses all interactions between atoms that are not transmitted(More)
A stochastic technique based on genetic algorithms was implemented to develop new force fields by optimizing molecular mechanics (MM) parameters. These force fields have been optimized for inorganic compounds such as polyoxometalates (POMs) and especially for type-I polymolybdate and polytungstate clusters. Focussing on the methodology of the development of(More)
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