The Journal of Chemical Physics Profile Banner
The Journal of Chemical Physics Profile
The Journal of Chemical Physics

@JChemPhys

3,853
Followers
1,179
Following
254
Media
1,771
Statuses

The MOST CITED journal in chemical physics publishing cutting edge research in all areas of modern #chemicalphysics and #physicalchemistry at @AIP_Publishing

Joined March 2022
Don't wanna be here? Send us removal request.
Pinned Tweet
@JChemPhys
The Journal of Chemical Physics
3 months
Congratulations to the 2023 Emerging Investigator Best Paper Winners ๐Ÿ† @MarissaWeichman ( @TheWeichmanLab @PrincetonChem ) and @barak_hirshberg ( @chemistrytau @TelAvivUni )! Read the winning papers ๐Ÿ‘‡
0
12
58
@JChemPhys
The Journal of Chemical Physics
2 years
New year and new faces - we're delighted to welcome Prof. Renee Frontiera as our newest Associate Editor! Renee ( @rfrontiera ) is a Professor at @UMNChemistry and her research focuses on the use of #Raman spectroscopy techniques to examine various systems
Tweet media one
1
16
123
@JChemPhys
The Journal of Chemical Physics
2 years
We are delighted to welcome a new Associate Editor, Prof. Weitao Yang ( @WeitaoYangGroup ), to our Editorial Board! Yang is the Philip Handler Professor at @DukeChemistry / @DukeU where his group focuses on methods for quantum mechanical calculations of large systems.
Tweet media one
4
12
83
@JChemPhys
The Journal of Chemical Physics
2 years
Editor's Pick from @ChengBingqing @ISTAustria is an important step towards the possibility of computing chemical potentials in complex mixtures on a routine basis. Great work, read it here!
1
15
80
@JChemPhys
The Journal of Chemical Physics
3 years
Follow our new dedicated twitter profile for The Journal of Chemical Physics! Youโ€™ll get the latest research in #chemphys and #physchem and journal news here!" @AIP_Publishing @TimLian5 #chemicalphysics #physicalchemistry #chemtwitter
0
23
76
@JChemPhys
The Journal of Chemical Physics
10 months
JCP Deputy Editor and Professor of Theoretical Chemistry at the University of Cambridge, Angelos Michaelides, who published his first ever paper in JCP, wishes the journal a Happy 90th Birthday!
1
8
46
@JChemPhys
The Journal of Chemical Physics
10 months
JCP Editor-in-Chief and Professor of Chemistry at Emory University, Tianquan (Tim) Lian, wishes JCP a Happy 90th Birthday, and ensures that the JCP editorial team will work hard to continue publishing the best papers in chemical physics! @TimLian5
0
7
51
@JChemPhys
The Journal of Chemical Physics
8 months
Another great JCP lunch in the books at #ACSSpring2024 - thanks to everyone for taking some time to join @TimLian5 , @BonnMischa , and David Reichman!
Tweet media one
1
4
47
@JChemPhys
The Journal of Chemical Physics
2 years
For some more philosophical #weekendreads , enjoy this 2021 perspective from @JarrodMcclean ( @GoogleAI ) and colleagues discussing the role of #quantumcomputing in the future of chemistry.
0
9
44
@JChemPhys
The Journal of Chemical Physics
2 years
The Journal of Chemical Physics would like to announce the two winners of the 2022 JCP Best Paper by an Emerging Investigator Awards.
Tweet media one
7
5
46
@JChemPhys
The Journal of Chemical Physics
2 years
Thanks @ACSPHYSDivision , we had a great time at your #ACSFall2022 dinner! JCP EiC @TimLian5 , Assoc. Editor @cd_sherrill , and Journal Manager @Jendotherm clink matching drinks to your continued success ๐Ÿฅ‚
Tweet media one
1
3
46
@JChemPhys
The Journal of Chemical Physics
2 years
Phase diagrams are essential for understanding material properties, but computing them is not easy. #scilight
0
6
44
@JChemPhys
The Journal of Chemical Physics
2 years
We're delighted to celebrate Valeria Molinero, recipient of the Langmuir Award, sponsored by JCP, at the #apsmarch award ceremony! @TimLian5
Tweet media one
0
6
40
@JChemPhys
The Journal of Chemical Physics
2 years
This collection celebrates recent work in #electrontransfer triggered by Marcus' 1956 Nobel Prize-winning work - read the guest editorial by Cherri Hsu & @HammarstromLeif , with tribute to the late Bob Cave, here: Full collection:
Tweet media one
1
11
36
@JChemPhys
The Journal of Chemical Physics
2 years
How to (re)define semi-empirical in the scope of quantum chemistry? Should DFT be considered semi-empirical? Parametrized fragmentation methods offer immense benefits in terms of speed and insight. @aist_en
1
10
37
@JChemPhys
The Journal of Chemical Physics
2 years
#ACSSpring2023 join us in congratulating @ChengBingqing , @ISTAustria , and Katrin Erath- Dulitz, @uniinnsbruck @UniFreiburg , winners of the 2022 JCP Best Paper Awards by an Emerging Investigator! Read the prize-winning works here: &
Tweet media one
3
6
35
@JChemPhys
The Journal of Chemical Physics
9 months
David Reichman, JCP Associate Editor and Professor of Chemistry at Columbia University, wishes JCP a Happy 90th Birthday ๐ŸŽˆ - a journal he has looked to and respected since he was an undergraduate. @ChemColumbia
0
11
34
@JChemPhys
The Journal of Chemical Physics
2 years
Round two of hot pot with @TimLian5 and @KamatlabND ! #ACSFall2022
Tweet media one
0
1
33
@JChemPhys
The Journal of Chemical Physics
11 months
Congratulations to the 2023 JCP-DCP Future of Chemical Physics Lectureship Winner, @FangLiu_Emory ! Learn more about Dr. Liu and the lectureship at #F23MRS @AIP_Publishing Booth 817 or visit
Tweet media one
2
2
31
@JChemPhys
The Journal of Chemical Physics
2 years
Our first hybrid editors' strategy meeting since the pandemic was last weekend - wonderful to see much of the team in 3D for collaborative and energized planning! @TimLian5 @cd_sherrill @MicheleCeriotti @BonnMischa @WeitaoYangGroup @rfrontiera @carlos_vega_ucm @OgilvieLab
Tweet media one
0
7
28
@JChemPhys
The Journal of Chemical Physics
8 months
Mirror, mirror on the wall, do hydrogen abstraction rates under vibrational strong coupling change at all? Find out the answer in this most recent paper! @TheWeichmanLab @PrincetonChem @MarissaWeichman Learn more ๐Ÿ‘‡
1
9
28
@JChemPhys
The Journal of Chemical Physics
3 years
Editors Choice 2021๐Ÿ… The authors show how Monte Carlo simulations can be used to predict if a #protein undergoes macroscopic phase separation or finite aggregation during liquid-liquid phase separations. @RanaUshnish @brangwynnelab #polymers #RNA
0
9
28
@JChemPhys
The Journal of Chemical Physics
2 years
Let's phase it, states of matter matter. This perspective explores how phase diagrams can be determined computationally using both traditional and machine-learning methodsโ€”and why one might bother. @pinyuchew @ChemCambridge @Cambridge_Uni
0
6
26
@JChemPhys
The Journal of Chemical Physics
1 year
Liangyi Chen, Zifan Ma, & Joseph Fournier @WashUChem demonstrate frequency-resolved ultrafast transient vibrational action spectroscopy of dilute molecular ion ensembles in this JCP cover feature - read it here!
Tweet media one
0
9
28
@JChemPhys
The Journal of Chemical Physics
9 months
David Manolopoulos, JCP Deputy Editor and Professor of Theoretical Chemistry at the University of Oxford, wishes the journal a Happy 90th Birthday ๐ŸŽ‰ and shares what upcoming initiatives he is excited about. @OxfordChemistry
0
2
27
@JChemPhys
The Journal of Chemical Physics
2 years
Last week's JCP cover is an excellent resource for researchers working on new methods to rank polymorphs of molecular crystals - ๐Ÿ‘ great work from Flaviano Della Pia, @AZen3 , Dario Alfรจ, & @icegroupcam @ChemCambridge Read it here:
Tweet media one
0
6
25
@JChemPhys
The Journal of Chemical Physics
2 years
Interested in path sampling techniques for molecular simulations? Check out this practical guide to applying transition interface sampling and forward flux sampling to complex systems! Great cover article from @grisell832 , @SarupriaS , @SAMPELatUMN
Tweet media one
0
8
26
@JChemPhys
The Journal of Chemical Physics
2 years
All excellent talks in the @ACSPHYSDivision award session and more to come! @TimLian5 gets to enjoy his face cupcake before his upcoming talk at 5:25pm in S405a #ACSFall2022
Tweet media one
0
0
26
@JChemPhys
The Journal of Chemical Physics
2 years
#pathintegral quantum dynamics made accurate, inexpensive and as simple as molecular dynamics, combining PI CG Sims (PIGS) @chemCambridge @MSFTResearch @FU_Berlin
0
7
25
@JChemPhys
The Journal of Chemical Physics
2 years
Check out NQCDynamics.jl, a software written in #JuliaLang that caters for prototyping of new methods as well production simulations for nonadiabatic quantum classical dynamics in the condensed phase. Nice work from @compsurfchem ( @warwickchem )!
0
8
25
@JChemPhys
The Journal of Chemical Physics
8 months
The Journal of Chemical Physics is a proud sponsor of the @cecamEvents & @jncasr conference, MD @60 , celebrating the 60th anniversary of molecular dynamics and A. Rahman's pioneering work in Phys Rev! #CECAM
@cecamEvents
CECAM
8 months
The MD @60 Conference has started today in Bengalore, India! 4 exciting days to celebrate the 60 years of the pioneering paper โ€œCorrelations in the Motions of Atoms in Liquid Argonโ€ by A. Rahman! โžก๏ธ co-organised with @jncasr
1
3
35
0
2
24
@JChemPhys
The Journal of Chemical Physics
6 months
Liu and coworkers compute equilibrium free energy surfaces for molecular systems at any temperature within a wide range by combining umbrella sampling with a non-equilibrium dissipative approach. @glenhocky @grantrotskoff Learn more ๐Ÿ‘‡
0
2
24
@JChemPhys
The Journal of Chemical Physics
1 year
Geoffrey Monet, Marie-Laure Bocquet, & Lydรฉric Bocquet bring us a very interesting paper introducing a methodology to compute Onsager coefficients for fluids within nanochannels @LP_ENS_ #nanofluidics ๐Ÿ‘‰
Tweet media one
0
7
21
@JChemPhys
The Journal of Chemical Physics
1 year
๐Ÿ“ขCall For Papers This Special Issue will be published to honor Brus on the occasion of his 80th birthday to highlight the ubiquity of low dimensional materials in contemporary topics in chemistry, physics, engineering, and biology. Submit by December 31, 2023! @sfeirlab
2
9
23
@JChemPhys
The Journal of Chemical Physics
3 years
One of JCP's new tutorial articles and cover of the week! #FRET -lines describe single-molecule experiments on freely diffusing biomolecules, revealing biomolecular dynamics mechanisms at a glance from @anders_barth @thomaspeulen @SMBLab #FRETcommunity
Tweet media one
0
6
22
@JChemPhys
The Journal of Chemical Physics
8 months
Feldman & Hirshberg report a quadratic scaling bosonic PIMD algorithm, enabling simulations of ~1000 bosons in days rather than decades and eliminating almost all exchange effects overhead in PIMD. @yotamfe @barak_hirshberg Learn more ๐Ÿ‘‡
0
6
22
@JChemPhys
The Journal of Chemical Physics
2 years
Combining augmented reality, machine learning, and computational chemistry to bring molecules to life for students and researchers. #scilight
1
8
19
@JChemPhys
The Journal of Chemical Physics
8 months
Thanks to a wonderful chemical physics community for joining JCP Editors Mark Ediger and @rfrontiera and Journal Manager @Jendotherm for a JCP lunch at #APSMarch !
Tweet media one
0
5
22
@JChemPhys
The Journal of Chemical Physics
2 years
Congratulations @XYZ_Columbia for the well-deserved honor! JCP and @AIP_Publishing are proud to work with the Division of Chemical Physics @APSphysics to sponsor the Earle K. Plyler Prize.
@ColumbiaQuantum
Columbia Quantum Initiative
2 years
Congratulations to Xiaoyang Zhu @XYZ_Columbia @ChemColumbia ! He has been awarded the Earle K. Plyler Prize from @APSphysics for his research in the spectroscopy and dynamics of molecular condensed materials.
Tweet media one
1
2
19
0
3
20
@JChemPhys
The Journal of Chemical Physics
2 years
Pulse sequence design is part of the larger topic of the dynamic control of quantum systems. This work demonstrates ultra-robust excitation of nuclear singlet order via symmetry-based sequences. @ma_sabba @LevittGroup @unisouthampton
0
4
19
@JChemPhys
The Journal of Chemical Physics
11 months
Machine Learning Potentials have become a powerful tool for large-scale atomistic simulations. In this tutorial we describe their training illustrated by high-dimensional neural network potentials.
0
6
21
@JChemPhys
The Journal of Chemical Physics
1 year
A transition-path-informed collective variable, designed through deep learning, leads to efficient and accurate prediction of thermodynamics and kinetics of molecular rare events.
0
4
21
@JChemPhys
The Journal of Chemical Physics
3 years
We are delighted to welcome a new Associate Editor, Prof. Jun Cheng, to our Editorial Board! Dr. Cheng is a Professor at Xiamen University where his group focuses on computational #electrochemistry and theoretical #catalysis . #compchem
Tweet media one
1
2
21
@JChemPhys
The Journal of Chemical Physics
2 years
The 2021 JCP Best Paper by an Emerging Investigator awards were announced earlier this year - read more about the prize-winning articles from Yoav Green and Andrew Musser! #ACSFall2022
Tweet media one
0
4
20
@JChemPhys
The Journal of Chemical Physics
2 years
Please welcome the newest JCP Associate Editor, Prof. Deli Wang! Deli is a Professor at Huazhong University of Science and Technology and her research focuses on the rational design of #nanomaterials for #energy conversion and storage.
Tweet media one
3
6
20
@JChemPhys
The Journal of Chemical Physics
6 months
RC Flow: A normalizing flow-based approach for discovering reaction coordinates of molecular systems, enabling reduced kinetics of reaction coordinates to adhere to simple Brownian dynamics.
0
4
20
@JChemPhys
The Journal of Chemical Physics
2 years
@cd_sherrill , @FNCastellano , @TimLian5 , Xiaosong Li at booth 809 now!
Tweet media one
1
2
18
@JChemPhys
The Journal of Chemical Physics
2 years
We use differentiable simulations to train machine learned interatomic potentials from radial distribution functions, opening a new avenue to derive force fields from experimental data. @RGBLabMIT @JDietschreit
0
6
19
@JChemPhys
The Journal of Chemical Physics
2 years
2021 Editor's Choice highlight๐Ÿ… Tim Gould ( @timgould_scienc ) & Leeor Kronik provide a rigorous derivation of exact generalized Kohn-Sham theory for ensemble DFT. They cover the good, the bad, and the ugly aspects of the theory! Read it here:
1
2
18
@JChemPhys
The Journal of Chemical Physics
2 years
This week's cover features a #perspective on capture theory models from Tsikritea, Diprose, @SoftleyGroup , & @B_Heazlewood ! @livuniphysics #reactionrates #langevin Read it here ๐Ÿ‘‰
Tweet media one
1
7
18
@JChemPhys
The Journal of Chemical Physics
3 years
Selected as a 2021 Editors Choice, Nilsson, Beck, and @JustinSambur mapped out emissive defect sites in semiconductor #nanocrystals using energy transfer measurements in this fascinating article๐Ÿ‘€ Congrats @samburgroup ! @csu_chemistry Read it here:
0
4
17
@JChemPhys
The Journal of Chemical Physics
2 years
Cover of the weekโ˜€๏ธ Nancy Makri et al. @ChemistryUIUC apply fully quantum path integral #simulations to reveal intricate cascades of excitation energy relaxation between rings in the #bacterial LH2 complex of Rhodopseudomonas molischianum.
Tweet media one
0
4
18
@JChemPhys
The Journal of Chemical Physics
2 years
Don't miss this Editor's Pick from @johnsontheochem & coworkers @ChimieUL : Density matrices of closed-shell geminals were computed with the pairs, giving an analogue of Wickโ€™s theorem. #compchem
0
8
18
@JChemPhys
The Journal of Chemical Physics
2 years
We're excited to share the wonderful news that Deputy Editor Angelos Michaelides ( @icegroupcam @ChemCambridge ) has been elected a Fellow of the Royal Society. Congratulations Angelos!
0
0
15
@JChemPhys
The Journal of Chemical Physics
10 months
Mischa Bonn, JCP Deputy Editor and Director at the Max-Planck Institute for Polymer Research, with help from his students, wishes JCP a Happy 90th Birthday! @BonnMischa
0
5
17
@JChemPhys
The Journal of Chemical Physics
2 years
Nice Editor's pick here, Mark Maroncelli and team @psu_chemistry report a careful and comprehensive computational study of OH stretch IR line shapes of isolated water molecules in dipolar and ionic liquids
0
7
16
@JChemPhys
The Journal of Chemical Physics
2 years
The work of Jiawei Yan (้—ซๅ˜‰ไผŸ) and @GrantRotskoff is featured on the cover this week! They apply #machinelearning techniques to difficult problems in non-equilibrium statistical mechanics. #statmech @StanfordUChem Read it here:
Tweet media one
1
8
17
@JChemPhys
The Journal of Chemical Physics
2 years
Open for submissions! We're very excited to be working with Guest Editors Liwei Chen, @DukovicLab , & @KraussLabUR to commemorate the 40th anniversary of the Rosetti, Nakahara, & Brus report on quantum confinement in #colloidal #nanocrystals . Details here:
Tweet media one
3
6
16
@JChemPhys
The Journal of Chemical Physics
1 year
Kudos to @JorgeACamGA and @ucsd_yuen for the striking cover of the week! What great timing to overlap with SCOM 2023 - hope everyone is enjoying the conference so far!
Tweet media one
@JorgeACamGA
Jorge Arturo Campos
1 year
My review of chemistry under vibrational strong light-matter coupling with @ucsd_yuen made it to the cover of @JChemPhys @AIP_Publishing !
0
1
15
0
4
15
@JChemPhys
The Journal of Chemical Physics
2 years
Did we mention last week's great cover article yet? This work comes from @d_jasras et al. ( @UCB_Chemistry ), who developed a unified, atomistic theory to describe #excitons and their nonradiative processes in semiconductor #nanocrystals . Check it out!
Tweet media one
1
5
16
@JChemPhys
The Journal of Chemical Physics
2 years
Did you know JCP publishes #tutorials ? Catch the second part of this tutorial on single molecule FRET analysis from @anders_barth @SMBLab , @thomaspeulen & more here! #smFRET
0
8
16
@JChemPhys
The Journal of Chemical Physics
2 years
Great lunch yesterday with some of JCP's editorial advisory board at #ACSFall2022 ! All ready for hotpot in appropriate PPE - @gabriela_ssc , Mike Wasielewski, Justin Johnson + @TimLian5 , @cd_sherrill , & @Jendotherm ๐Ÿฅฃ
Tweet media one
0
2
15
@JChemPhys
The Journal of Chemical Physics
2 years
This week's cover features a #perspective from @yasumizutani and Misao Mizuno @OsakaU_Research on vibrational energy flow in #proteins - give it a read!
Tweet media one
0
9
15
@JChemPhys
The Journal of Chemical Physics
2 years
Latest JCP cover article reports a new implementation of an approach for understanding complex electronic effects at surfaces, by @ScottHabershon @reinimau & team @warwickchem @warwickuni Read here:
Tweet media one
0
5
16
@JChemPhys
The Journal of Chemical Physics
1 year
๐Ÿ“ขCall For Papers How accurate are excited state simulations? This Special Topic will feature the communityโ€™s predictions around an upcoming cyclobutanone photochemistry experiment! @toddjmartinez @MarioBarbatti @insilphotochem Learn more:
0
5
15
@JChemPhys
The Journal of Chemical Physics
3 years
#Editorschoice 2021๐Ÿ… #Perovskite -sensitized triplet-triplet annihilation is an emerging field with many remaining unknown parameters. The authors investigate the effect of the halide composition on the upconversion process. @NienhausFSU @ChemistryFsu
0
2
15
@JChemPhys
The Journal of Chemical Physics
6 months
Simulating nonlinear spectra requires expensive quantum dynamics simulations. Here, the authors develop a discrete-time generalized quantum master equation to radically lower the cost & offer physical insights. @AndresMonCas @CUBoulderCHEM
0
2
15
@JChemPhys
The Journal of Chemical Physics
3 years
Highlight from #ACSSpring2022 : Editor-in-Chief @TimLian5 with @HnchengA and Hai-Lung Dai @TempleUniv at the awards banquet. Great to see friends in person and celebrate the accomplishments of our colleagues!
Tweet media one
1
1
15
@JChemPhys
The Journal of Chemical Physics
11 months
This week's cover features work published in the 2023 Emerging Investigator collection! Impressive modeling of stochastic gene expression by Yiling Wang, Zhenhua Yu, @ramon_grima , & Zhixing Cao ( @QuCHEE ) Read it here:
Tweet media one
0
6
12
@JChemPhys
The Journal of Chemical Physics
2 years
2021 Editor's Choice highlight๐Ÿ…excellent article from Sharon Hammes-Schiffer group @YaleChem & collaborators ( @QChemSoftware ) who calculate thermochemical properties of different systems using the nuclear-electronic orbital analytic Hessian. #compchem
0
6
15
@JChemPhys
The Journal of Chemical Physics
8 months
Good luck finding a seat at JCP editor @MicheleCeriotti 's talk in 207AB #APSmarch , happening now!
Tweet media one
0
0
14
@JChemPhys
The Journal of Chemical Physics
2 years
This Collection celebrates 65 years of work in electron transfer triggered by Marcusโ€™ 1956 Nobel Prize-winning work. Learn more:
0
9
14
@JChemPhys
The Journal of Chemical Physics
3 years
Submit a nomination for the JCP-DCP Future of Chemical Physics Lectureship! Deadline now extended to April 29, 2022. Learn more here: #earlycareer #apsmarch #chemtwitter @AIP_Publishing @TimLian5
0
10
15
@JChemPhys
The Journal of Chemical Physics
10 months
JCP Asscociate Editor and Professor of Chemistry at the University of Wisconsin-Madison, Mark Ediger, wishes JCP a Happy 90th Birthday! Hear about his experience with JCP as both an Associate Editor and a longtime author.
0
2
12
@JChemPhys
The Journal of Chemical Physics
11 months
Great #F23MRS lunch with Associate Editor @rfrontiera , JM @Jendotherm and new friends, thanks for sharing your thoughts and time with us! @jierzzh @cgbischak @TisdaleWA @NienhausFSU & Joseph DuChene
Tweet media one
1
4
13
@JChemPhys
The Journal of Chemical Physics
2 years
The stress tensor is essential to many scientific problems. We review calculation methods in molecular dynamics, highlight its non-uniqueness at the nanoscale, and explore future directions. @KaihangS @edwardsmith999
0
2
14
@JChemPhys
The Journal of Chemical Physics
2 years
A Perspective written by Mizutani and Mizuno provides an overview of studies on vibrational energy flow in proteins, including future perspectives for both methodologies and applications.
0
4
14
@JChemPhys
The Journal of Chemical Physics
7 months
Importing the mode-coupling theory from liquids to crystals enabled us to construct an exact, fully anharmonic theory of lattice dynamics, which works for both classical and quantum systems
0
4
13
@JChemPhys
The Journal of Chemical Physics
8 months
Check out the PHYS symposium, organized by The Journal of Chemical Physics Associate Editor David Reichman, "In Honor of Gregory Voth's 65th birthday: from #quantumdynamics to ultra course-graining, and everything in between" March 17-20 in Room R06. #ACSSpring2024 Learn more ๐Ÿ‘‡
0
2
14
@JChemPhys
The Journal of Chemical Physics
2 years
Featured on the cover this week is work led by Sumit Sinha ( @Sinhon2030 ) and Dave Thirumalai ( @davethirum ) @UTChemistry They provide interesting insight into the importance and origin of memory effects in informing cell dynamics - check it out!
Tweet media one
3
5
14
@JChemPhys
The Journal of Chemical Physics
1 year
Researchers developed a theory for how crosslinks in polymer networks affect penetrant diffusivity, and key role of activated segmental dynamics. @IllinoisMatSE @ChBEIllinois @SingLabUIUC
0
3
14
@JChemPhys
The Journal of Chemical Physics
1 year
Catalysts are important for industrial chemistry. Now 2D-IR spectroscopy can study them in their solid form, offering a deeper view of these types of materialsโ€™ vibrational spectra. @CLF_STFC
0
5
13
@JChemPhys
The Journal of Chemical Physics
2 years
New Editor's Pick online! Researchers at @unisouthampton demonstrate how cross-correlated spin relaxation leads to asymmetric line broadening in #NMR spectra of near-equivalent spin-1/2 pairs. #NMRchat
0
6
14
@JChemPhys
The Journal of Chemical Physics
10 months
Chao Zhang, Associate Professor of Chemistry at Uppsala University, wishes JCP a Happy 90th Birthday, and speaks to JCP's ability to unite the physical chemistry community across the globe!
0
3
14
@JChemPhys
The Journal of Chemical Physics
2 years
Excellent article included in the 2021 Editor's Choice collection on #machinelearning free energies in chemical space by @WeinreichJan , Nicholas Browning, & @ProfvLilienfeld !
1
4
14
@JChemPhys
The Journal of Chemical Physics
11 months
Another warm congratulations to the 2022 JCP Emerging Investigator Best Paper Winner, @ChengBingqing , for her paper: Computing chemical potentials of solutions from structure factors! Come by #F23MRS Booth 817 to learn more about the award ๐Ÿ‘‰
Tweet media one
0
3
14
@JChemPhys
The Journal of Chemical Physics
11 months
Ab initio molecular simulations suggest that previous pioneering experiments relating water's liquid-liquid transition to the shape of the melting lines of ice polymorphs may require reinterpretation. @PiaggiPablo @tgartner_3 @CcscCsi @PrincetonChem
0
4
13
@JChemPhys
The Journal of Chemical Physics
2 years
Does chemistry need more physics? This Featured article by Sunaga, Salman, & Saue considers the effect of quantum #electrodynamics ( #QED ) on the structure and reactivity of molecules. @LCPQ_UMR5626
0
7
12
@JChemPhys
The Journal of Chemical Physics
2 years
Cover of the week๐ŸŒˆ Researchers describe an exciting new tool for studying molecular systems in solution or other condensed-phase environments with #singlemolecule sensitivity. @ChemTokmakoff @UChiChemistry
Tweet media one
0
1
13
@JChemPhys
The Journal of Chemical Physics
2 years
Have a paper in the works related to the gelation of #colloidal gels? Considering submitting to our open Special Topic collection with Guest Editors @TM_Truskett , @DeliaMilliron , and Ryan Jadrich! Submission deadline: August 14, 2022 To learn more:
Tweet media one
0
4
13
@JChemPhys
The Journal of Chemical Physics
2 years
Great cover with art credit to Paul Morris ๐Ÿ๐Ÿ @CoryMSimon and coworkers ( @EngineeringOSU ) describe a #machinelearning model (SVM) to classify the toxicity of pesticides to bees. Check it out!
Tweet media one
0
4
12
@JChemPhys
The Journal of Chemical Physics
2 years
Have a great paper ready for submission using #plasmonic #nanostructures for #energy conversion? Consider submitting to our Special Topic (deadline just extended to June 6)! Read more here:
1
2
13
@JChemPhys
The Journal of Chemical Physics
2 years
Congratulations๐Ÿฅณto Bingqing Chen for her paper โ€œComputing chemical potentials of solutions from structure factorsโ€
1
5
13
@JChemPhys
The Journal of Chemical Physics
2 years
2021 Editor's Choice ๐Ÿ… Here, Yihan Shao & colleagues propose an implementation that uses dimensionless amplitudes for describing the #photonic contributions to QED-TDDFT electronโ€“photon eigenstates. #DFT @UOkChemBiochem Check it out!
0
4
12