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2022 JCP Emerging Investigators Special Collection

The 2022 JCP Emerging Investigators Special Collection is a highly selective collection of JCP papers by emerging investigators encompassing the entire scope of the journal. The papers accepted into the collection are considered for one of two Best Paper by an Emerging Investigator Awards. For details and how to submit see [https://publishing.aip.org/publications/journals/special-topics/jcp/2022-jcp-emerging-investigators-special-collection/]

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Polymers and Soft Matter
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Ionic environment effects on collagen type II persistence length and assembly
Kathryn G. Wilcox; Grace M. Kemerer; Svetlana Morozova
10.1063/5.0131792
Theoretical Methods and Algorithms
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A spur to molecular geometry optimization: Gradient-enhanced universal kriging with on-the-fly adaptive ab initio prior mean functions in curvilinear coordinates
Chong Teng; Daniel Huang; Junwei Lucas Bao
10.1063/5.0133675
Advanced Experimental Techniques
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Ultrasensitive detection of SARS-CoV-2 S protein with aptamers biosensor based on surface-enhanced Raman scattering
Man-Man Gu; Peng-Cheng Guan; Shan-Shan Xu; Hong-Mei Li; Yi-Chuan Kou; Xiao-Dong Lin; Murugavel Kathiresan; Yanling Song; Yue-Jiao Zhang; Shang-Zhong Jin; Jian-Feng Li
10.1063/5.0130011
Theoretical Methods and Algorithms
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An efficient protocol for excited states of large biochromophores
Oliver Feighan; Frederick R. Manby; Susannah Bourne-Worster
10.1063/5.0132417
Theoretical Methods and Algorithms
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Ion-atom-atom three-body recombination: From the cold to the thermal regime
Marjan Mirahmadi; Jesús Pérez-Ríos
10.1063/5.0134132
Advanced Experimental Techniques
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High-sensitivity fluorescence-detected multidimensional electronic spectroscopy through continuous pump–probe delay scan
Amitav Sahu; Vivek N. Bhat; Sanjoy Patra; Vivek Tiwari
10.1063/5.0130887
Theoretical Methods and Algorithms
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Compact and complete description of non-Markovian dynamics
Thomas Sayer; Andrés Montoya-Castillo
10.1063/5.0132614
COMMUNICATIONS
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Evidence of defect-induced broadband light emission from 2D Ag–Bi double perovskites grown at liquid–liquid interfaces
Aaron S. Rury; Adedayo M. Sanni; Destiny Konadu; Tyler Danielson
10.1063/5.0134568
Advanced Experimental Techniques
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A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials
Pieter Schiettecatte; Zeger Hens; Pieter Geiregat
10.1063/5.0134962
Polymers and Soft Matter
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Computational design of anisotropic nanocomposite actuators
Alessandro Ianiro; José Augusto Berrocal; Remco Tuinier; Michael Mayer; Christoph Weder
10.1063/5.0129105
Theoretical Methods and Algorithms
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Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. II. Polariton-mediated population dynamics in a dimer system
Yi-Ting Chuang; Siwei Wang; Liang-Yan Hsu
10.1063/5.0124843
Advanced Experimental Techniques
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Atomically precise binding conformations of adenine and its variants on gold using single molecule conductance signatures
Xiaoyun Pan; Cheng Qian; Amber Chow; Lu Wang; Maria Kamenetska
10.1063/5.0103642
Polymers and Soft Matter
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Interfacial microstructure of neutral and charged polymer brushes: A density functional theory study
Leying Qing; Jian Jiang
10.1063/5.0122397
Theoretical Methods and Algorithms
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Gaussian-based quasiparticle self-consistent GW for periodic systems
Jincheng Lei; Tianyu Zhu
10.1063/5.0125756
Theoretical Methods and Algorithms
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A pragmatic protocol for determining charge transfer states of molecules at metal surfaces by constrained density functional theory
Gang Meng; Bin Jiang
10.1063/5.0124054
Theoretical Methods and Algorithms
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Current density functional framework for spin–orbit coupling
Christof Holzer; Yannick J. Franzke; Ansgar Pausch
10.1063/5.0122394
Theoretical Methods and Algorithms
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Open quantum dynamics of strongly coupled oscillators with multi-configuration time-dependent Hartree propagation and Markovian quantum jumps
Johan F. Triana; Felipe Herrera
10.1063/5.0119293
Polymers and Soft Matter
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Dynamic density functional theory for drying colloidal suspensions: Comparison of hard-sphere free-energy functionals
Mayukh Kundu; Michael P. Howard
10.1063/5.0118695
Theoretical Methods and Algorithms
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Macroscopic quantum electrodynamics approach to multichromophoric excitation energy transfer. I. Formalism
Siwei Wang; Yi-Ting Chuang; Liang-Yan Hsu
10.1063/5.0106828
COMMUNICATIONS
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Quantum dynamics using path integral coarse-graining
Félix Musil; Iryna Zaporozhets; Frank Noé; Cecilia Clementi; Venkat Kapil
10.1063/5.0120386
  • Online ISSN 1089-7690
  • Print ISSN 0021-9606

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