Related papers: Lattice Dynamics of Solid Cubane within the Quasi-…
The thermodynamic behavior of QCD matter at high temperature is currently studied by lattice QCD theory. The main features are the fast rise of the energy density $\epsilon$ around the critical temperature $T_c$ and the large trace anomaly…
We report classical and tight-binding molecular dynamics simulations of the C$_{60}$ fullerene and cubane molecular crystal in order to investigate intermolecular dynamics and polymerization processes. Our results show that, for 200 K and…
We investigate the phase structure and the equation of state (EoS) for dense two-color QCD (QC$_2$D) at low temperature ($T = 40$ MeV, $32^4$ lattice) for the purpose of extending our previous works~\cite{Iida:2019rah, Iida:2022hyy} at…
A charge-density-wave (CDW) is characterized by a dynamical order parameter consisting of a time-dependent amplitude and phase, which manifest as optically-active collective modes of the CDW phase. Studying the behaviour of such collective…
Lattice structures have tailorable mechanical properties which allows them to exhibit superior mechanical properties (per unit weight) beyond what is achievable through natural materials. In this paper, quasi-static and dynamic behavior of…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…
We report X-ray diffraction patterns and calculated electronic band structures of the Dirac line-nodal material CaSb$_2$ under pressure. Its superconducting transition temperature ($T_{\mathrm{c}}=1.7$ K) increases under pressure and…
Intense ultrafast laser excitation can produce transient states of condensed matter that would otherwise be inaccessible. At high excitation level, the interatomic forces can be altered resulting in an unusual lattice dynamics. Here we…
We use ultrafast optical spectroscopy to investigate the electronic and lattice dynamics of the charge-density wave (CDW) material 1$T$-TiSe$_2$ across various temperatures and pump fluences. We reveal a close relationship between the…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
We analyze the low frequency part of charmonium spectral functions on large lattices close to the continuum limit in the temperature region $1.5\lesssim T/T_c\lesssim 3$ as well as for $T \simeq 0.75T_c$. We present evidence for the…
We describe a theoretical and computational approach to calculate the vibrational, elastic, and thermal properties of materials from the low-temperature quantum regime to the high-temperature anharmonic regime. This approach is based on…
Two special dynamical transitions of universal character have been recently observed in macromolecules at $T_{D}\sim 180 - 220$ K and $T^{*}\sim 100$ K. Despite their relevance, a complete understanding of the nature of these transitions…
Lattice QCD with 2 light staggered quark flavours is being simulated on a $16^3\times8$ lattice to study the transition from hadronic matter to a quark gluon plasma. We have completed runs at $m_q=0.0125$ and are extending this to…
We report a significant enhancement of superconducting transition temperature ($\textit{T}_\textrm{c}$) of transition metal dichalcogenide (TMD) superconductor $\textrm{NbTe}_2$ from 0.56 K to 2.8 K. Detailed x-ray structure analysis…
Possible variations in the dynamical behaviour of LiYF$_{4}$ due to its several structural changes under pressure are examined by making use of the complementary techniques of quasi-harmonic lattice dynamics and molecular dynamics…
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…
Silicon carbide is a hard, semiconducting material presenting many polytypes, whose behavior under extreme conditions of pressure and temperature has attracted large interest. Here we study the mechanical properties of 3C-SiC over a wide…
I review recent lattice results on strongly interacting matter under extreme conditions, with emphasis on the finite-temperature QCD transition at $\mu_B=0$, its approach toward the chiral limit and the fate of the $U_A(1)$ anomaly, as well…
We use the two fluid model to determine the conditions under which the nuclear spin-lattice lattice relaxation rate, $T_1$, of candidate heavy quantum critical superconductors can exhibit scaling behavior and find that it can occur if and…