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JCP Emerging Investigators Special Collection

The 2019 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.

EDITORIALS
JCP Emerging Investigator Special Collection 2019
Mark D. Ediger; Lasse Jensen; David E. Manolopoulos; Todd J. Martinez; Angelos Michaelides; David R. Reichman; C. David Sherrill; Qiang Shi; John E. Straub; Carlos Vega; Lai-Sheng Wang; Erinn C. Brigham; Tianquan Lian
https://doi.org/10.1063/5.0021946
Theoretical Methods and Algorithms
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Instanton formulation of Fermi’s golden rule in the Marcus inverted regime
Eric R. Heller; Jeremy O. Richardson
https://doi.org/10.1063/1.5137823
Surfaces, Interfaces, and Materials
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Strong coupling between magnetic resonance and propagating surface plasmons at visible light frequencies
Jingyu Wang; Weimin Yang; Petar M. Radjenovic; Yonglin He; Zhilin Yang; Jian-Feng Li
https://doi.org/10.1063/1.5133942
Theoretical Methods and Algorithms
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Variational control forces for enhanced sampling of nonequilibrium molecular dynamics simulations
Avishek Das; David T. Limmer
https://doi.org/10.1063/1.5128956
Theoretical Methods and Algorithms
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Diagrammatic method for tunable interactions in colloidal suspensions in rotating electric or magnetic fields
Kirill A. Komarov; Andrey V. Yarkov; Stanislav O. Yurchenko
https://doi.org/10.1063/1.5131255
Theoretical Methods and Algorithms
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Evidence of information limitations in coarse-grained models
Aditi Khot; Stephen B. Shiring; Brett M. Savoie
https://doi.org/10.1063/1.5129398
Theoretical Methods and Algorithms
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Vibrational (resonance) Raman optical activity with real time time dependent density functional theory
Johann Mattiat; Sandra Luber
https://doi.org/10.1063/1.5132294
Theoretical Methods and Algorithms
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Efficient and accurate description of adsorption in zeolites
Jiří Klimeš; David P. Tew
https://doi.org/10.1063/1.5123425
Theoretical Methods and Algorithms
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Unbiased fuzzy global optimization of Lennard-Jones clusters for N ≤ 1000
Kailiang Yu; Xubo Wang; Liping Chen; Linjun Wang
https://doi.org/10.1063/1.5127913
COMMUNICATIONS
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Multireference configuration interaction and perturbation theory without reduced density matrices
Ankit Mahajan; Nick S. Blunt; Iliya Sabzevari; Sandeep Sharma
https://doi.org/10.1063/1.5128115
Theoretical Methods and Algorithms
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A mechanism for anomalous transport in chiral active liquids
Zhenghan Liao; Ming Han; Michel Fruchart; Vincenzo Vitelli; Suriyanarayanan Vaikuntanathan
https://doi.org/10.1063/1.5126962
Liquids, Glasses, and Crystals
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Tracer transport in attractive and repulsive supercooled liquids and glasses
Ryan C. Roberts; Ryan Poling-Skutvik; Jacinta C. Conrad; Jeremy C. Palmer
https://doi.org/10.1063/1.5121851
Theoretical Methods and Algorithms
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The static local field correction of the warm dense electron gas: An ab initio path integral Monte Carlo study and machine learning representation
T. Dornheim; J. Vorberger; S. Groth; N. Hoffmann; Zh. A. Moldabekov; M. Bonitz
https://doi.org/10.1063/1.5123013
Theoretical Methods and Algorithms
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A hybrid approach to extending selected configuration interaction and full configuration interaction quantum Monte Carlo
Nick S. Blunt
https://doi.org/10.1063/1.5123146
Surfaces, Interfaces, and Materials
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Interaction between water and carbon nanostructures: How good are current density functional approximations?
Jan Gerit Brandenburg; Andrea Zen; Dario Alfè; Angelos Michaelides
https://doi.org/10.1063/1.5121370
Theoretical Methods and Algorithms
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Molecular free energy profiles from force spectroscopy experiments by inversion of observed committors
Roberto Covino; Michael T. Woodside; Gerhard Hummer; Attila Szabo; Pilar Cossio
https://doi.org/10.1063/1.5118362
Theoretical Methods and Algorithms
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A new kind of atlas of zeolite building blocks
Benjamin A. Helfrecht; Rocio Semino; Giovanni Pireddu; Scott M. Auerbach; Michele Ceriotti
https://doi.org/10.1063/1.5119751
Theoretical Methods and Algorithms
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Reaction coordinates and rate constants for liquid droplet nucleation: Quantifying the interplay between driving force and memory
Sun-Ting Tsai; Zachary Smith; Pratyush Tiwary
https://doi.org/10.1063/1.5124385
Theoretical Methods and Algorithms
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Multi-level quantum Rabi model for anharmonic vibrational polaritons
Federico J. Hernández; Felipe Herrera
https://doi.org/10.1063/1.5121426
Liquids, Glasses, and Crystals
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Factors influencing thermal solidification of bent-core trimers
Elvin D. Salcedo; Hong T. Nguyen; Robert S. Hoy
https://doi.org/10.1063/1.5121163
  • Online ISSN 1089-7690
  • Print ISSN 0021-9606

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