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May 2022

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Acoustic analog of twisted bilayer graphene 

Steven R. Craig, Zhenglu Li, Jiawei Ruan, Steven G. Louie, and Chengzhi Shi

The Journal of the Acoustical Society of America 151, A130 (2022)

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Active metamaterial for realizing odd micropolarity 

Guoliang Huang

The Journal of the Acoustical Society of America 151, A155 (2022)

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Study of electronic band structure in a 75-nm-wide n-GaAs/AlGaAs quantum well by surface acoustic waves 

Alexey Suslov, Irina Drichko, Ivan Smirnov, Mikhail Nestoklon, Dobromir Kamburov, Kirk Baldwin, Loren Pfeiffer, Ken West, and Leonid Golub

The Journal of the Acoustical Society of America 151, A271 (2022)

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Slow oscillating dynamics of a two-level system subject to a fast telegraph noise: Beyond the NIBA approximation 

V. V. Mkhitaryan, and M. E. Raikh

Low Temperature Physics 48, 363 (2022)

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Ground state of the biaxial spin-1/2 open chain 

A. A. Zvyagin

Low Temperature Physics 48, 383 (2022)

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Study of electric field effect on ferroelectric and dielectric properties of Rochelle salt (RS) crystal 

Muzaffar Iqbal Khan, Trilok Chandra Upadhyay, and Pawan Singh

AIP Conference Proceedings 2357, 020001 (2022)

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Strongly interacting trapped one-dimensional quantum gases: Exact solution   

A. Minguzzi, and P. Vignolo

AVS Quantum Sci. 4, 027102 (2022)

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A first principle study on spin-dependent transport properties of graphite nanostructures 

Allah Dekama Jara, Ritesh Verma, Ankush Chauhan, Anirban Saha, Yashwant Singh, and Rajesh Kumar

AIP Conference Proceedings 2357, 040002 (2022)

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Optimization of π-bridged spacer for enhanced non-linearities – A structure-property relationship deduced through theoretical investigation 

Mandeep Kaur, and Gagandeep Kaur

AIP Conference Proceedings 2357, 040023 (2022)

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Advances and key technologies in magnetoresistive sensors with high thermal stabilities and low field detectivities   

Byeonghwa Lim, Mohamed Mahfoud, Proloy T. Das, Taehyeong Jeon, Changyeop Jeon, Mijin Kim, Trung-Kien Nguyen, Quang-Hung Tran, Ferial Terki, and CheolGi Kim

APL Materials 10, 051108 (2022)

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Enhanced hole injection and transport property of thermally deposited copper thiocyanate (CuSCN) for organic light-emitting diodes     

Hui Ung Hwang, Jiyoung Yoon, Youn-Seoung Lee, Jangwon Lee, Jonghee Lee, Kyung-Geun Lim, and Jeong Won Kim

APL Materials 10, 051109 (2022)

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Dynamic characteristics of droplet impact on vibrating superhydrophobic substrate 

Chensen Lin, Shuo Chen, Ping Wei, Lanlan Xiao, Dongxiao Zhao, and Yang Liu

Physics of Fluids 34, 052005 (2022)

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The density–temperature range of exchange–correlation exciton existence by the fermionic path integral Monte Carlo method 

V. S. Filinov, P. R. Levashov, and A. S. Larkin

Physics of Plasmas 29, 052106 (2022)

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Equilibrium and non-equilibrium molecular dynamics approaches for the linear viscoelasticity of polymer melts   

Oluseye Adeyemi, Shiping Zhu, and Li Xi

Physics of Fluids 34, 053107 (2022)

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Spin–orbit torque driven nano-oscillators based on synthetic Néel-like skyrmion in magnetic tunnel junction     

Byoung Choi, Mukesh Aryal, Minyeong Choi, and Yang-Ki Hong

AIP Advances 12, 055013 (2022)

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Chemical bonds and weak interactions of methoxysalicylic acid isomers investigated by terahertz spectroscopy and density functional theory   

Yuan Tang, Zhi Li, Huo Zhang, Shan Tu, and Yulai She

AIP Advances 12, 055015 (2022)

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Suppress the vibration of tool system in milling process   

Binbin Peng, Xianguo Yan, and Juan Du

AIP Advances 12, 055018 (2022)

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First principles study on structure and mechanical properties of Cr2AlC   

JianRong Zhang, KeWei Tao, LiDong Ma, YangYang Yang, Lei Yang, and WenShan Duan

AIP Advances 12, 055019 (2022)

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Electronic band structure and chemical bonding in trigonal Se and Te   

V. G. Orlov, and G. S. Sergeev

AIP Advances 12, 055110 (2022)

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High-pressure polycrystalline thin-film synthesis and semiconducting property of platinum pernitride   

Ken Niwa, Tomoki Iizuka, Masashi Kurosawa, Yuto Nakamura, Hubert Okadome Valencia, Hideo Kishida, Osamu Nakatsuka, Takuya Sasaki, Nico Alexander Gaida, and Masashi Hasegawa

AIP Advances 12, 055318 (2022)

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Using gene expression programming to discover macroscopic governing equations hidden in the data of molecular simulations 

Haoyun Xing, Jun Zhang, Wenjun Ma, and Dongsheng Wen

Physics of Fluids 34, 057109 (2022)

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Irregular water wave interaction with oscillating water column wave energy converter devices placed over undulated seabed 

Kshma Trivedi, and Santanu Koley

AIP Conference Proceedings 2357, 100007 (2022)

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Numerical heat transfer modelling of a centrifugal solar particle receiver 

Serdar Hicdurmaz, Evan F. Johnson, Johannes Grobbel, Lars Amsbeck, Reiner Buck, and Bernhard Hoffschmidt

AIP Conference Proceedings 2445, 110003 (2022)

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Inverse molecular design from first principles: Tailoring organic chromophore spectra for optoelectronic applications   

James D. Green, Eric G. Fuemmeler, and Timothy J. H. Hele

J. Chem. Phys. 156, 180901 (2022)

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Angle selective piezoelectric strain-controlled magnetization switching in artificial spin ice based multiferroic system 

Avinash Chaurasiya, Manish Anand, and Rajdeep Singh Rawat

Journal of Applied Physics 131, 183901 (2022)

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Fully periodic, computationally efficient constant potential molecular dynamics simulations of ionic liquid supercapacitors   

Shern R. Tee, and Debra J. Searles

J. Chem. Phys. 156, 184101 (2022)

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Cooperative molecular structure in polaritonic and dark states   

Lorenz S. Cederbaum

J. Chem. Phys. 156, 184102 (2022)

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GraphVAMPNet, using graph neural networks and variational approach to Markov processes for dynamical modeling of biomolecules 

Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, and Bernard R. Brooks

J. Chem. Phys. 156, 184103 (2022)

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Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories 

Francesco Talotta, David Lauvergnat, and Federica Agostini

J. Chem. Phys. 156, 184104 (2022)

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Quantum dynamics of the photoinduced charge separation in a symmetric donor–acceptor–donor triad: The role of vibronic couplings, symmetry and temperature 

David Picconi

J. Chem. Phys. 156, 184105 (2022)

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Natural range separation of the Coulomb hole 

Mireia Via-Nadal, Mauricio Rodríguez-Mayorga, Eloy Ramos-Cordoba, and Eduard Matito

J. Chem. Phys. 156, 184106 (2022)

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Piecewise interaction picture density matrix quantum Monte Carlo   

William Z. Van Benschoten, and James J. Shepherd

J. Chem. Phys. 156, 184107 (2022)

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Organic photoredox catalysts for CO2 reduction: Driving discovery with genetic algorithms 

Kareesa J. Kron, Andres Rodriguez-Katakura, Pranesh Regu, Maria N. Reed, Rachelle Elhessen, and Shaama Mallikarjun Sharada

J. Chem. Phys. 156, 184109 (2022)

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The factorization ansatz for non-local approximations to the exchange–correlation hole 

Etienne Cuierrier, Pierre-Olivier Roy, and Matthias Ernzerhof

J. Chem. Phys. 156, 184110 (2022)

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Slip and stress from low shear rate nonequilibrium molecular dynamics: The transient-time correlation function technique 

Luca Maffioli, Edward R. Smith, James P. Ewen, Peter J. Daivis, Daniele Dini, and B. D. Todd

J. Chem. Phys. 156, 184111 (2022)

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Molecular orbital projectors in non-empirical jmDFT recover exact conditions in transition-metal chemistry   

Akash Bajaj, Chenru Duan, Aditya Nandy, Michael G. Taylor, and Heather J. Kulik

J. Chem. Phys. 156, 184112 (2022)

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Understanding the chemical bonding of ground and excited states of HfO and HfB with correlated wavefunction theory and density functional approximations   

Isuru R. Ariyarathna, Chenru Duan, and Heather J. Kulik

J. Chem. Phys. 156, 184113 (2022)

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A neural network-assisted open boundary molecular dynamics simulation method 

J. E. Floyd, and J. R. Lukes

J. Chem. Phys. 156, 184114 (2022)

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Sample size dependence of tagged molecule dynamics in steady-state networks with bimolecular reactions: Cycle times of a light-driven pump 

Daniele Asnicar, Emanuele Penocchio, and Diego Frezzato

J. Chem. Phys. 156, 184116 (2022)

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Quantum computing of Hückel molecular orbitals of π-electron systems 

Ryuhei Yoshida, Erik Lötstedt, and Kaoru Yamanouchi

J. Chem. Phys. 156, 184117 (2022)

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Systematic bottom-up molecular coarse-graining via force and torque matching using anisotropic particles 

Huong T. L. Nguyen, and David M. Huang

J. Chem. Phys. 156, 184118 (2022)

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A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions 

Selin Bac, Stephen Jon Quiton, Kareesa J. Kron, Jeongmin Chae, Urbashi Mitra, and Shaama Mallikarjun Sharada

J. Chem. Phys. 156, 184119 (2022)

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Collision excitation of c-C3H(X1A1) by He 

Muneerah Mogren Al Mogren, Driss Ben Abdallah, Sarah Dhaif Allah Al Harbi, and Maria Luisa Senent

J. Chem. Phys. 156, 184302 (2022)

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Assessment of XC functionals for the study of organic molecules with superhalogen substitution. A systematic comparison between DFT and CCSD(T) 

Jin-Feng Li, Jia-Hui Wang, and Bing Yin

J. Chem. Phys. 156, 184303 (2022)

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Efficient force field and energy emulation through partition of permutationally equivalent atoms 

Hao Li, Musen Zhou, Jessalyn Sebastian, Jianzhong Wu, and Mengyang Gu

J. Chem. Phys. 156, 184304 (2022)

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Rovibrational investigation of a new high-lying state of Cu2 by using two-color resonant four-wave-mixing spectroscopy   

Jiaye Jin, Qiang Zhang, Peter Bornhauser, Gregor Knopp, Roberto Marquardt, and Peter P. Radi

J. Chem. Phys. 156, 184305 (2022)

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Unconventional SN2 retention pathways induced by complex formation: High-level dynamics investigation of the NH2 + CH3I polyatomic reaction 

Domonkos A. Tasi, and Gábor Czakó

J. Chem. Phys. 156, 184306 (2022)

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Barely fluorescent molecules. I. Twin-discharge jet laser-induced fluorescence spectroscopy of HSnCl and DSnCl 

Gretchen Rothschopf, Tony C. Smith, and Dennis J. Clouthier

J. Chem. Phys. 156, 184307 (2022)

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Barely fluorescent molecules. II. Twin-discharge jet laser-induced fluorescence spectroscopy of HSnBr and DSnBr 

Gretchen Rothschopf, Joseph M. Cardon, Tony C. Smith, and Dennis J. Clouthier

J. Chem. Phys. 156, 184308 (2022)

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Temperature induced change of TMAO effects on hydrophobic hydration 

Angelina Folberth, and Nico F. A. van der Vegt

J. Chem. Phys. 156, 184501 (2022)

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