At the request of the National Science Foundation, the U.S. Department of Energy, the U.S. Army, and the National Cancer Institute, the National Academies were asked to review the current state of chemical imaging technology, identify promising future developments and their appl…
The objective of this work is to research and develop new methods for multiscale modeling and simulation of the dynamic behavior of complex multiscale processes using multibody simulation methods. Many example applications may be found in the modeling of macro-biomolecular syste…
Scaling of CMOS towards its ultimate limits, where quantum effects and atomistic variability due to fabrication, along with recent emphasis on heterogeneous integration of non-digital devices for increasing the functional diversification presents us with fundamentally new challe…
The shock-induced collapse of nanobubbles in water is investigated using molecular dynamics simulations based on a reactive force field. Monitoring the collapse of a cavitation nanobubble, we observe a focused nanojet at the onset of bubble shrinkage and a water hammer shock wav…
Asphaltenes are the heaviest and most polarizable fractions of crude oils. As a result, they have a high tendency to aggregate and flocculate under certain conditions. Asphaltene precipitation and subsequent deposition in production tubings and topside facilities present signifi…
Poly-proline-based chiral stationary phases are relatively new stationary phases and have shown to be competitive to other commercially available chiral stationary phases for high performance liquid chromatography (HPLC). The conformational studies, solvation properties and enan…