Article
Astronomy & Astrophysics
Ruairi Brett, Chris Culver, Maxim Mai, Andrei Alexandru, Michael Doring, Frank X. Lee
Summary: In this study, a fit of the finite-volume QCD spectrum of three pions at maximal isospin was performed to constrain the three-body force. Results indicate consistency with a constant contact term close to zero for heavier pion mass, while showing statistically significant energy dependence for lighter mass. The findings also suggest the potential to constrain the two-body amplitude with sufficient three-body energy levels.
Article
Physics, Nuclear
J. M. Alarcon, J. A. Oller
Summary: We investigate the effect of P-wave interactions on the energy of a degenerate gas of spin-1/2 fermions. By summing the ladder diagrams, we calculate the energy per particle in the many-body system and obtain a renormalized result. It is found that the resonance poles caused by P-wave interactions contradict the Hermiticity of the Hamiltonian, resulting in the instability of unpolarized spin-1/2 fermionic normal matter.
Article
Chemistry, Multidisciplinary
Burcu Topaloglu Aksoy, Burcu Dedeoglu, Yunus Zorlu, Mehmet Menaf Ayhan, Bunyemin Cosut
Summary: In this study, the researchers explored the efficiency of halogen center dot center dot center dot halogen interactions in controlling supramolecular assemblies of boron dipyrromethene (BODIPY) derivatives. By systematically decorating BODIPY scaffolds with iodine groups, they were able to promote halogen center dot center dot center dot halogen interactions and form various supramolecular self-assemblies. Analysis showed that the major source for all halogen-bonded formations were the dispersion and electrostatic components.
Article
Astronomy & Astrophysics
Arnab Paul, Arindam Chatterjee, Anish Ghoshal, Supratik Pal
Summary: The study explores the interaction between dark matter and neutrinos in Lambda CDM cosmology, using the Planck 2018 dataset to constrain these processes. A viable particle dark matter model with dark matter-neutrino interaction is discussed, and the constraints obtained are mapped to the parameter space of the model.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Review
Chemistry, Multidisciplinary
Alex Elmi, Scott L. Cockroft
Summary: Supramolecular chemistry focuses on interactions between molecules, while molecular chemistry is centered on bonds within molecules. Understanding molecular self-assembly processes remains a challenge, particularly due to computational and practical limitations regarding solvation effects. Tackling these challenges requires a combination of experimental and computational approaches to study the role of solvents in molecular recognition.
ACCOUNTS OF CHEMICAL RESEARCH
(2021)
Article
Astronomy & Astrophysics
Zack Li, Rui An, Vera Gluscevic, Kimberly K. Boddy, J. Richard Bond, Erminia Calabrese, Jo Dunkley, Patricio A. Gallardo, Yilun Guan, Adam Hincks, Kevin M. Huffenberger, Arthur Kosowsky, Thibaut Louis, Mathew S. Madhavacheril, Kavilan Moodley, Lyman A. Page, Bruce Partridge, Frank J. Qu, Maria Salatino, Blake Sherwin, Cristobal Sifon, Cristian Vargas, Edward J. Wollack
Summary: Measurements of the cosmic microwave background (CMB) provide constraints on the interaction between dark matter and baryonic matter, which is crucial for understanding the particle nature of dark matter.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2023)
Article
Chemistry, Physical
Piotr H. Kowalski, Agnieszka Krzeminska, Katarzyna Pernal, Ewa Pastorczak
Summary: The London dispersion interactions between systems undergoing bond breaking, twisting, or compression have been understudied due to the lack of methods capable of describing both dynamic correlation and multireference character with high computational cost. Recently developed methods based on Generalized Valence Bond wave function offer accurate computation and analysis of noncovalent interactions between multireference systems. This study enhances the analysis by introducing a local indicator for dispersion interactions inspired by the Dispersion Interaction Density. The indicator provides insights into the nature and evolution of dispersion interaction during bond breaking and twisting.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Multidisciplinary
Mehmet Menaf Ayhan, Emrah Ozcan, Burcu Dedeoglu, Yurii Chumakov, Yunus Zorlu, Bunyemin Cosut
Summary: This study presents the first example of 3D BODIPY assembly mediated by carbon tetrel bonds centered on C-sp3, with significant synergy between the interactions of C-sp3 center dot center dot center dot N and C-sp3 center dot center dot center dot F. The interaction energies of carbon tetrel bonds between C-sp3 center dot center dot center dot N and C-sp3 center dot center dot center dot F increase significantly as the size of the 1D chain grows from dimer to tetramer BODIPY units.
Article
Chemistry, Multidisciplinary
Bing Tang, Wenle Xia, Wei Cai, Jinbin Liu
Summary: In this study, luminescent AuNPs with redshifted emission and good biocompatibility were successfully constructed using an amphiphilic block copolymer template. The strategy involved the formation of uniform clusters of NIR-II AuNPs inside the hydrophobic cores of ABC micelles and the generation of rigid NIR-II AuNPs as ABC unimers on the surface, enabling enhanced biological interactions.
Review
Physics, Multidisciplinary
Attila Szilva, Yaroslav Kvashnin, Evgeny A. Stepanov, Lars Nordstrom, Olle Eriksson, Alexander I. Lichtenstein, Mikhail I. Katsnelson
Summary: This review discusses the explicit calculations of interatomic exchange interactions of magnetic materials and examines the connection between microscopic theories of electronic structure and interatomic exchange. The review highlights the extraction of information for an effective spin Hamiltonian from electronic structure calculations with significantly fewer atoms. Examples of exchange interactions of various materials are presented, and a comparison to experimental data is made when possible.
REVIEWS OF MODERN PHYSICS
(2023)
Article
Astronomy & Astrophysics
Markus R. Mosbech, Celine Boehm, Steen Hannestad, Olga Mena, Julia Stadler, Yvonne Y. Y. Wong
Summary: Research found that interactions between massive neutrinos and dark matter significantly change the lower bounds on sigma 8 inferred from Planck data, leading to agreement within 1-2 sigma with weak lensing estimates of sigma 8, while barely affecting the value of the Hubble constant H-0.
JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS
(2021)
Article
Chemistry, Physical
Sharon A. Ochieng, Konrad Patkowski
Summary: This study constructed a benchmark dataset containing 20 heteromolecular trimers and analyzed their interaction energies. The results showed that the three-body interaction energies were mainly dominated by induction, but had a small influence on the overall bonding type of the complex.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Review
Chemistry, Multidisciplinary
Rajat Maji, Sharath Chandra Mallojjala, Steven E. Wheeler
Summary: This article introduces the importance of electrostatic interactions in catalytic systems and the application of computational chemistry methods in studying these interactions. The author reveals the role of electrostatic interactions in reaction mechanisms and selectivity through quantum chemical computations, using asymmetric organocatalysis as specific examples.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Physics, Particles & Fields
D. Bason, M. Billo
Summary: We present a diagrammatic procedure for Grassmann integration in N=1 superfields-based 4d theories, as an alternative to the well-known D-algebra approach. The method is developed in detail for theories involving vector, chiral, and anti-chiral superfields, with the same type of interactions found in N=2 SYM theories with massless matter. It can be potentially extended to other cases. The main advantage of this method is its algorithmic nature. We have implemented it as a Mathematica program that directly provides the polynomial produced by the Grassmann integration when given a description of a super Feynman diagram in momentum space.
EUROPEAN PHYSICAL JOURNAL C
(2023)
Article
Chemistry, Physical
Rahul Sahu, Divya Nayar
Summary: This study investigates the effects of chemical nature and soft attractive energy of crowders on water-mediated hydrophobic interactions between non-polar solutes using molecular dynamics simulations. The results show that different types of crowders have varying effects on hydrophobic interactions, with small-sized crowders primarily driving the interaction through an entropic depletion effect, and bulky crowders strengthening it through preferential interactions with the solute. The findings suggest that both entropic and energetic effects play crucial roles in determining hydrophobic associations.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
W. Jin, Q. Liu, D. B. Dougherty, W. G. Cullen, J. E. Reutt-Robey, J. Weeks, S. W. Robey
JOURNAL OF CHEMICAL PHYSICS
(2015)
Review
Chemistry, Multidisciplinary
Bruce J. Berne, John T. Fourkas, Robert A. Walker, John D. Weeks
ACCOUNTS OF CHEMICAL RESEARCH
(2016)
Article
Chemistry, Physical
Richard C. Remsing, John D. Weeks
JOURNAL OF PHYSICAL CHEMISTRY B
(2016)
Article
Multidisciplinary Sciences
Richard C. Remsing, Shule Liu, John D. Weeks
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2016)
Article
Chemistry, Physical
Richard C. Remsing, Timothy T. Duignan, Marcel D. Baer, Gregory K. Schenter, Christopher J. Mundy, John D. Weeks
JOURNAL OF PHYSICAL CHEMISTRY B
(2018)
Article
Chemistry, Physical
Ang Gao, Liang Tan, Mangesh I. Chaudhari, D. Asthagiri, Lawrence R. Pratt, Susan B. Rempe, John D. Weeks
JOURNAL OF PHYSICAL CHEMISTRY B
(2018)
Article
Chemistry, Multidisciplinary
Richard C. Remsing, John D. Weeks
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
(2018)
Article
Chemistry, Physical
Richard C. Remsing, John D. Weeks
JOURNAL OF PHYSICAL CHEMISTRY B
(2015)
Article
Physics, Mathematical
Renjie Zhao, Richard C. Remsing, John D. Weeks
JOURNAL OF STATISTICAL PHYSICS
(2020)
Article
Chemistry, Physical
Edward B. Baker, Jocelyn M. Rodgers, John D. Weeks
JOURNAL OF PHYSICAL CHEMISTRY B
(2020)
Article
Chemistry, Physical
Dedi Wang, Renjie Zhao, John D. Weeks, Pratyush Tiwary
Summary: By studying NaCl ion-pair dissociation in a dilute aqueous solution using computer simulations, we find that short-range interactions can accurately reproduce the dissociation process, while contributions from long-range interactions can be neglected.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Chemistry, Physical
Ang Gao, Richard C. Remsing, John D. Weeks
Summary: In this article, recent developments in the local molecular field (LMF) theory are reviewed, which addresses the challenges of Coulomb interactions in aqueous solutions. LMF theory accurately separates intermolecular Coulomb interactions into short-range and long-range components, reducing the need for complex lattice summation techniques. The short solvent (SS) model, derived from LMF theory, provides a simple description of the pairing of nucleobases and biologically relevant ions in water.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Meeting Abstract
Chemistry, Multidisciplinary
John Weeks, Ang Gao
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
Meeting Abstract
Chemistry, Multidisciplinary
Richard Remsing, John Weeks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
Meeting Abstract
Chemistry, Multidisciplinary
John Weeks
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2015)