Condensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter, especially the solid and liquid phases which arise from electromagnetic forces between atoms. More generally, the subject deals with condensed phases of matter: systems of many constituents with strong interactions among them. More exotic condensed phases include the superconducting phase exhibited by certain materials at extremely low cryogenic temperature, the ferromagnetic and antiferromagnetic phases of spins on crystal lattices of atoms, and the Bose–Einstein condensate found in ultracold atomic systems. Condensed matter physicists seek to understand the behavior of these phases by experiments to measure various material properties, and by applying the physical laws of quantum mechanics, electromagnetism, statistical mechanics, and other physics theories to develop mathematical models.
In computational chemistry, the Lennard-Jones potential is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied. It is considered an archetype model for simple yet realistic intermolecular interactions.
Coveney is a Professor of Physical Chemistry, Honorary Professor of Computer Science, and the Director of the Centre for Computational Science (CCS) and Associate Director of the Advanced Research Computing Centre at University College London (UCL). He is also a Professor of Applied High Performance Computing at University of Amsterdam (UvA) and Professor Adjunct at the Yale School of Medicine, Yale University. He is a Fellow of the Royal Academy of Engineering and Member of Academia Europaea. Coveney is active in a broad area of interdisciplinary research including condensed matter physics and chemistry, materials science, as well as life and medical sciences in all of which high performance computing plays a major role. The citation about Coveney on his election as a FREng says: Coveney "has made outstanding contributions across a wide range of scientific and engineering fields, including physics, chemistry, chemical engineering, materials, computer science, high performance computing and biomedicine, much of it harnessing the power of supercomputing to conduct original research at unprecedented space and time scales. He has shown outstanding leadership across these fields, manifested through running multiple initiatives and multi-partner interdisciplinary grants, in the UK, Europe and the US. His achievements at national and international level in advocacy and enablement are exceptional".
Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional models, post-Hartree–Fock models, and thermochemical recipes including G3(MP2) and T1. Quantum chemistry calculations in Spartan are powered by Q-Chem.
Carbon trioxide (CO3) is an unstable oxide of carbon (an oxocarbon). The possible isomers of carbon trioxide include ones with molecular symmetry point groups Cs, D3h, and C2v. The C2v state, consisting of a dioxirane, has been shown to be the ground state of the molecule. Carbon trioxide should not be confused with the stable carbonate ion (CO2−
3).
In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent. The models are determined from quantum mechanics, molecular mechanics, experimental results, and these combinations. To imitate a specific nature of molecules, many types of models have been developed. In general, these can be classified by the following three points; (i) the number of interaction points called site, (ii) whether the model is rigid or flexible, (iii) whether the model includes polarization effects.
Rudolf Podgornik is a physicist. His fields of research are: physics of soft matter, physics of Coulomb fluids, physics of macromolecular interactions, Lifshitz theory of Casimir - van der Waals dispersion interaction, Casimir effect, physics of membranes, polymers and polyelectrolytes and physics of DNA, RNA and viruses.
Giacinto Scoles is a European and North American chemist and physicist who is best known for his pioneering development of molecular beam methods for the study of weak van der Waals forces between atoms, molecules, and surfaces. He developed the cryogenic bolometer as a universal detector of atomic and molecule beams that not only can detect a small flux of molecules, but also responds to the internal energy of the molecules. This is the basis for the optothermal spectroscopy technique which Scoles and others have used to obtain very high signal-to noise and high resolution ro-vibrational spectra.
Molecular Dynamics of Mixtures (MDynaMix) is a computer software package for general purpose molecular dynamics to simulate mixtures of molecules, interacting by AMBER- and CHARMM-like force fields in periodic boundary conditions. Algorithms are included for NVE, NVT, NPT, anisotropic NPT ensembles, and Ewald summation to treat electrostatic interactions. The code was written in a mix of Fortran 77 and 90. The package runs on Unix and Unix-like (Linux) workstations, clusters of workstations, and on Windows in sequential mode.
Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations. It provides a graphical environment for the common programs of quantum and classical molecular modelling ORCA, NWChem, Firefly, CP2K and MDynaMix . The molecular mechanics calculations cover model building, energy optimizations and molecular dynamics. Firefly covers a wide range of quantum chemistry methods. Ascalaph Designer is free and open-source software, released under the GNU General Public License, version 2 (GPLv2).
Food physical chemistry is considered to be a branch of Food chemistry concerned with the study of both physical and chemical interactions in foods in terms of physical and chemical principles applied to food systems, as well as the applications of physical/chemical techniques and instrumentation for the study of foods. This field encompasses the "physiochemical principles of the reactions and conversions that occur during the manufacture, handling, and storage of foods."
Robert Walter Zwanzig was an American theoretical physicist and chemist who made important contributions to the statistical mechanics of irreversible processes, protein folding, and the theory of liquids and gases.
Vincenzo Aquilanti is an Italian chemist, emeritus professor at the University of Perugia.
Bidyendu Mohan Deb is an Indian theoretical chemist, chemical physicist and a professor at the Indian Institute of Science Education and Research, Kolkata (IISER). he is known for his studies in theoretical chemistry and chemical physics. He is an elected fellow of the International Union of Pure and Applied Chemistry, The World Academy of Sciences, Indian National Science Academy and the Indian Academy of Sciences. The Council of Scientific and Industrial Research, the apex agency of the Government of India for scientific research, awarded him the Shanti Swarup Bhatnagar Prize for Science and Technology, one of the highest Indian science awards, in 1981, for his contributions to chemical sciences.
Howard Theodore "Ted" Davis (1937–2009) was an American chemical engineer and regents professor in the Department of chemical engineering and materials science (CEMS) at the University of Minnesota. He is internationally known for his work in statistical thermodynamics, transport in porous media, and surface thermodynamics. Davis was an author of more than 400 academic papers and five books including the acclaimed textbooks: “Linear Algebra and Linear Operators in Engineering” ., "Statistical Mechanics of Phases, Interfaces and Thin Films". He served as the department head of CEMS for 15 years (1980-1995), followed by his leadership as dean (1995-2005) of the Institute of Technology, the University of Minnesota's college of physical science and engineering. In 2008, Davis became the director of the University of Minnesota's BioTechnology Institute
Thomas Maurice Rice, known professionally as Maurice Rice, is an Irish theoretical physicist specializing in condensed matter physics.
Andrzej Sobolewski is a Polish physicist and academic working at the Institute of Physics of the Polish Academy of Sciences in Warsaw. He is a fellow of the Alexander von Humboldt Foundation and Foundation for Polish Science as well as a member of the National Science Centre.
Branka Maria Ladanyi was a Yugoslavian-born Croatian-American physical chemist, who spent her career in the department of chemistry at Colorado State University. Her research focused on structure and dynamics of liquids, broadly defined, which she studied using theoretical and computational techniques.
David Leslie Andrews,, is a British scientist appointed as Professor of Chemical Physics at the University of East Anglia, where he was the Head of Chemical Sciences and Physics, from 1996 to 1999.
Devarajan (Dave) Thirumalai, an Indian-born American physicist, is the Collie-Welch Reagents Professor in Chemistry at the University of Texas at Austin. His research spans equilibrium and non-equilibrium statistical mechanics, such as the transition from liquid to amorphous state, polymer-colloid interactions, and protein and RNA folding. He is known for his contributions to the theories of protein/RNA folding, protein aggregation, glasses, and biological machines. He also does research in intrinsically disordered proteins (IDPs), organization and dynamics of chromosome and cell biophysics. Prior to moving to the University of Texas at Austin, he was a distinguished university professor in the University of Maryland from 2010 to 2015.
