502 citations · 623 across the 6 of their papers we have counts for
12 papers
Molecular Structure, Dynamics, and Vibrational Spectroscopy of the Acetylene:Ammonia (1:1) Plastic Co-Crystal at Titan Conditions
Atul C. Thakur, Richard C. Remsing
The Saturnian moon Titan has a thick, organic-rich atmosphere, and condensed phases of small organic molecules are anticipated to be stable on its surface. Of particular importance…
Liquid-liquid Phase transitions in silicon
M. W. C. Dharma-wardana, Dennis D. Klug, Richard C. Remsing
We use computationally simple neutral pseudo-atom (`average atom') one-center density functional theory (DFT) and standard N-center DFT-Molecular Dynamics simulations to elucidate…
Effective Mass Path Integral Simulations of Quasiparticles in Condensed Phases
Richard C. Remsing, Jefferson E. Bates
The quantum many-body problem in condensed phases is often simplified using a quasiparticle description, such as effective mass theory for electron motion in a periodic solid. Thes…
Molecular Simulation of Covalent Bond Dynamics in Liquid Silicon
Richard C. Remsing, Michael L. Klein
Many atomic liquids can form transient covalent bonds reminiscent of those in the corresponding solid states. These directional interactions dictate many important properties of th…
Lone Pair Rotational Dynamics in Solids
Richard C. Remsing, Michael L. Klein
Traditional classifications of crystalline phases focus on nuclear degrees of freedom. Through examination of both electronic and nuclear structure, we introduce the concept of an…
Halogen Bond Structure and Dynamics from Molecular Simulations
Richard C. Remsing, Michael L. Klein
Halogen bonding has emerged as an important noncovalent interaction in a myriad of applications, including drug design, supramolecular assembly, and catalysis. Current understandin…