Related papers: Trends in pKa Values for polyprotic carboxylic aci…
We use large scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length $l_e$ of isolated, uniformly charged polymers with \DH intrachain interactions in the limit where the screening length…
We have further developed and extended a method for calculation of atomic properties based on a combination of the configuration interaction and coupled-cluster approach. We have applied this approach to the calculation of different…
We introduce a variant of (sparse) PCA in which the set of feasible support sets is determined by a graph. In particular, we consider the following setting: given a directed acyclic graph $G$ on $p$ vertices corresponding to variables, the…
The Quantum Chromodynamics (QCD) phase structure has been studied using the Polyakov-loop augmented quark-meson model (PQM) in the extended mean field approximation (e-MFA) where the quark one-loop vacuum term is included.~When the…
We propose a new method for obtaining the CP phase alpha, based on measurements of B0(d) --> K0 anti-K0, along with theoretical input. Due to the similarities of QCD factorization (QCDf) and perturbative QCD (pQCD), this input is basically…
Polyelectrolytes, such as polyacrylic acid (PAA), can effectively mitigate $\mathrm{CaCO_3}$ scale formation. Despite their success as antiscalants, the underlying mechanism of $\mathrm{Ca^{2+}}$ binding to polyelectrolyte chains remains…
Hadron production in leading order pQCD is reviewed. The shape of the single inclusive particle spectra is well described for $p_T \geq 2-3$ GeV at center of mass energies from 20 GeV to 2 TeV. The phenomenological K-factor is found to…
We present a renormalization procedure for Polyakov loops which explicitly implements the fact that the renormalization constant depends only on the ultraviolet cutoff. Using this we study the renormalized Polyakov loops in all…
In the past, it was believed that one cannot obtain clean weak-phase information from the measurement of CP-violating asymmetries in 3-body B decays. Recently it was shown that this is not true -- by expressing the decay amplitudes in terms…
The Pariser-Parr-Pople Hamiltonian is used to calculate and identify the nature of the low-lying vertical transition energies of polydiacetylene. The model is solved using the density matrix renormalisation group method for a fixed…
We study the free energy of a static quark in QCD with 2+1 flavors in a wide temperature region, 116 MeV $< T < $ 5814 MeV, using the highly improved staggered quark (HISQ) action. We analyze the transition region in detail, obtain the…
A variety of interstellar complex organic molecules (COMs) have been detected in various physical conditions. However, in the protostellar and protoplanetary environments, their complex kinematics make line profiles blend each other and the…
Clusters of polycyclic aromatic hydrocarbon (PAH) molecules are modelled using explicit all-atom potentials using a rigid body approximation. The PAH's considered range from pyrene (C10H8) to circumcoronene (C54H18), and clusters containing…
The phase diagram at finite temperature and density is investigated in the framework of the Polyakov linear sigma model (PLSM) with three light quark flavors in the mean field approximation. It is found that in the PLSM, the three phase…
We work in a model where all CP violating phenomena have a common source. CP is spontaneously broken at a large scale $V$ through the phase of a complex singlet scalar. An additional $SU(2)_L$ singlet vector-like down-type quark relates…
We introduce an approach to calculate the thermodynamic oxidation and reduction potentials of semiconductors in aqueous solution. By combining a newly-developed ab initio calculation for compound formation energy and band alignment with…
We calculate direct CP-violating observables in charged $B\to VV$ decays arising from the interference of amplitudes with different strong and CKM phases. The perturbative strong phases develop at order $\alpha_s$ from absorptive parts of…
We analyze the interaction of two conducting, charged polymer chains in solution using a minimal model for their electronic degrees of freedom. We show that a crossing of the two chains in which the polymers pass within Angstroms of each…
By means of synchrotron X-ray diffraction, we studied the effect of high pressure, P, up to 13 GPa on the room temperature crystal structure of superconducting CaC6. In this P range, no change of the pristine space group symmetry,…
The PTCDA (3,4,9,10-Perylene-tetracarboxylic dianhydride) and the NTCDA (1,4,5,8-Naphtalenetetracarboxylic dianhydride) are aromatic, stable, planar and highly symmetric with unusual electrical properties. The PTCDA is a semiconductor…