Related papers: Spatially-controlled complex molecules and their a…
An independent control of the flux and energy of ions impacting on an object immersed in a plasma is often desirable for many industrial processes such as microelectronics manufacturing. We demonstrate that a simultaneous control of these…
Oriented external electric fields are ubiquitous in chemistry; however, the effects of fields applied in different directions on molecular systems remain underexplored. A major challenge is that an applied field exerts a torque on a…
We review recent studies dealing with the generation of machine learning models of molecular and solid properties. The models are trained and validated using standard quantum chemistry results obtained for organic molecules and materials…
We implement arbitrary maps between pure states in the 16-dimensional Hilbert space associated with the ground electronic manifold of Cs. This is accomplished by driving atoms with phase modulated rf and {\mu}w fields, using modulation…
Strong electric fields can be used to align molecules. However, a non-polar molecule such as H$_2$ has no preference for its orientation. There are thus two equivalent configurations with equal energy separated by a potential-energy…
Attosecond science promises to reveal the most fundamental electronic dynamics occurring in matter and it can develop further by meeting two linked technological goals related to high-order harmonic sources: higher photon flux (permitting…
We tailor the quantum statistics of a bosonic field to deterministically drive a quantum system into a target state. Experimentally accessible states of the field achieve good control of multi-level or -qubit systems, notably also at…
Robust quantum control is crucial for realizing practical quantum technologies. Energy landscape shaping offers an alternative to conventional dynamic control, providing theoretically enhanced robustness and simplifying implementation for…
A major obstacle in the way of practical quantum computing is achieving scalable and robust high-fidelity entangling gates. To this end, quantum control has become an essential tool, as it can make the entangling interaction resilient to…
External fields can decidedly alter the free energy landscape of soft materials and can be exploited as a powerful tool for the assembly of targeted nanostructures and colloidal materials. Here, we use computer simulations to demonstrate…
Coherent optical control schemes exploit the coherence of laser pulses to change the phases of interfering dynamical pathways in order to manipulate dynamical processes. These active control methods are closely related to dynamical…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
Controlling quantum spins using electric rather than magnetic fields promises significant architectural advantages for developing quantum technologies. In this context, spins in molecular nanomagnets offer tunability of spin-electric…
Photodissociation of a molecule produces a spatial distribution of photofragments determined by the molecular structure and the characteristics of the dissociating light. Performing this basic chemical reaction at ultracold temperatures…
The control of chemical reactions is a recurring theme in physics and chemistry. Traditionally, chemical reactions have been investigated by tuning thermodynamic parameters, such as temperature or pressure. More recently, physical methods…
In this mini-review we summarize the progress of modeling, simulation and analysis of shock responses of heterogeneous materials in our group in recent years. The basic methodology is as below. We first decompose the problem into different…
Following two recent papers [Phys. Chem. Chem. Phys. 2015, \textbf{17}, 3196; Mol. Phys. 2015, \textbf{113}, 1843], we perform a larger-scale study of chemical structure in one dimension (1D). We identify a wide, and occasionally…
We study coherent control in the vicinity of metallic nanostructures. Unlike in the case of control in gas or liquid phase, the collective response of electrons in a metallic nanostructure can significantly enhance different frequency…
Open quantum systems are ubiquitous in the physical sciences, with widespread applications in the areas of chemistry, condensed matter physics, material science, optics, and many more. Not surprisingly, there is significant interest in…