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Path-integral approximations to quantum dynamics
Abstract
Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum (Boltzmann) statistical properties since the 1980s....
SC Althorpe
Sep 02, 2021
Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics.
We present calculations of tunneling splittings in selected small water clusters, based on a recently developed path integral molecular dynamics (PIMD) method. The ground-rotational-state tunneling motions associated with the...
Winthrop to Host SC Humanities Festival Events
Winthrop University
Jan 01, 0001
HIGHLIGHTS Winthrop University is partnering with SC Humanities to help host the annual SC Humanities Festival, March 28-30. The festival will celebrate the local history and culture of York County, engaging the citizens in...
Published by: Winthrop University
Student Research on Food Insecurity in Rock Hill, SC
Bradley Ghent, Mikayla Mangle, Jordan Hamrick, Jason Smith, Kelly Klimas, Katherine Metzo
Jan 01, 0001
Students from ENVS 350 course on Food Systems and Sustainability present research papers on food choices, food insecurity, food sovereignty and race in the food system at large, and specifically in the city of Rock Hill, SC.
Published by: Winthrop University
Chicken Bog and the Shared Traditions of Horry County, SC
Valerie McLaurin
Jan 01, 0001
This paper discusses the shared traditions of a dish local to Horry County, SC. That dish is Chicken Bog or Pilau. This dish tells us a rich story about the diversity of South Carolina.
Published by: Winthrop University
Winthrop to Host First SC Screening of Everybody Street Documentary
Winthrop University
Jan 01, 0001
The Department of Fine Arts is hosting the first SC screening of "Everybody Street" on Wednesday, Sept. 3 at 8 p.m. in Dina's Place, DiGiorgio Campus Center. The screening is free and open to the public. "Everybody Street"...
Published by: Winthrop University
Path-integral approximations to quantum dynamics
Stuart C. Althorpe
Jul 28, 2021
Abstract: Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum (Boltzmann) statistical properties since the 1980s. This article reviews the more recent extension of such methods to simulate...
Testing the quasicentroid molecular dynamics method on gas-phase ammonia.
Quasicentroid molecular dynamics (QCMD) is a path-integral method for approximating nuclear quantum effects in dynamics simulations, which has given promising results for gas- and condensed-phase water. In this work, by...
Conjugated poly-ynes and poly(metalla-ynes) incorporating thiophene-based spacers for solar cell (SC) applications
Muhammad S. Khan, Mohammed K. Al-Suti, Jayapal Maharaja, Ashanul Haque, Rayya Al-Balushi, Paul R. Raithby
Jun 15, 2016
Solar cells (SCs) are of considerable current research interest because of their potential as a clean alternative to fossil fuels. Researchers across the globe are developing novel polymeric materials with enhanced power...
On the "Matsubara heating" of overtone intensities and Fermi splittings.
Classical molecular dynamics (MD) and imaginary-time path-integral dynamics methods underestimate the infrared absorption intensities of overtone and combination bands by typically an order of magnitude. Plé et al. [J. Chem....
Path-integral approximations to quantum dynamics
Stuart C. Althorpe
Aug 26, 2021
Abstract: Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum (Boltzmann) statistical properties since the 1980s. This article reviews the more recent extension of such methods to simulate...
Eighteen Winthrop College Seniors Jan. 8, 1947
Winthrop News Service
Jan 01, 0001
Eighteen Winthrop College Seniors have been selected for Who's Who among students in American colleges and universities. The group includes 14 South Carolinians, 3 Georgians, and 1 North Carolinian. The names are as follows: ...
Published by: Winthrop University
Which quantum statistics-classical dynamics method is best for water?
There are a variety of methods for including nuclear quantum effects in dynamics simulations by combining quantum Boltzmann statistics with classical dynamics. Among them are thermostatted ring-polymer molecular dynamics...
Mary Ford of Charleston Jan. 7, 1947
Winthrop News Service
Jan 01, 0001
Mary Ford of Charleston, SC was a contributor for the winter edition of The Journal, Winthrop College's literary magazine. Miss Ford was a member of The Journal's art staff. Other students who appeared in the winter edition of...
Published by: Winthrop University
Adapting the UTAUT2 Model for Social Commerce Context
Social commerce (SC) became a major channel for conducting business as a result of the ban adopted by many countries because of Covid-19 era. The simplicity of the Unified Theory of Acceptance and use of Technology (UTAUT) and...
Published by: IGI Global Scientific Publishing
Discordant attributes of structural and functional brain connectivity in a two-layer multiplex network.
Several studies have suggested that functional connectivity (FC) is constrained by the underlying structural connectivity (SC) and mutually correlated. However, not many studies have focused on differences in the network...
Imbalanced social-communicative and restricted repetitive behavior subtypes of autism spectrum disorder exhibit different neural circuitry.
Natasha Bertelsen, Isotta Landi, Richard A I Bethlehem, Jakob Seidlitz, Elena Maria Busuoli, Veronica Mandelli, Eleonora Satta, Stavros Trakoshis, Bonnie Auyeung, Prantik Kundu, Eva Loth, Guillaume Dumas, Sarah Baumeister, Christian F Beckmann, Sven Bölte, Thomas Bourgeron, Tony Charman, Sarah Durston, Christine Ecker, Rosemary J Holt, Mark H Johnson, Emily J H Jones, Luke Mason, Andreas Meyer-Lindenberg, Carolin Moessnang, Marianne Oldehinkel, Antonio M Persico, Julian Tillmann, Steve C R Williams, Will Spooren, Declan G M Murphy, Jan K Buitelaar, Simon Baron-Cohen, Meng-Chuan Lai, Michael V Lombardo
Jun 17, 2021
Social-communication (SC) and restricted repetitive behaviors (RRB) are autism diagnostic symptom domains. SC and RRB severity can markedly differ within and between individuals and may be underpinned by different neural...
Published by: Communications biology
Approximating Matsubara dynamics using the planetary model
Matsubara dynamics is the quantum-Boltzmann-conserving classical dynamics which remains when real-time coherences are taken out of the exact quantum Liouvillian [T. J. H. Hele et al., J. Chem. Phys. 142, 134103 (2015)]; because...
Conjugated poly-ynes and poly(metalla-ynes) incorporating thiophene-based spacers for solar cell (SC) applications
Muhammad S. Khan, Mohammed K. Al-Suti, Jayapal Maharaja, Ashanul Haque, Rayya Al-Balushi, Paul R. Raithby
Jun 15, 2016
Solar cells (SCs) are of considerable current research interest because of their potential as a clean alternative to fossil fuels. Researchers across the globe are developing novel polymeric materials with enhanced power...
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