Page 1 | Search Results | The Journal of Chemical Physics

1-20 of 252

Sort by

Sort Order Select

Journal Articles

Overcoming experimental obstacles in two-dimensional spectroscopy of a single molecule

Sanchayeeta Jana, Simon Durst, Lucas Ludwig, Markus Lippitz

J. Chem. Phys. 162, 184202 (2025)

https://doi.org/10.1063/5.0261813

Published: May 2025

View articletitled, Overcoming experimental obstacles in two-dimensional spectroscopy of a single molecule

Journal Articles

Impact of carbon dioxide loading on the thermal conductivity of metal organic frameworks

Sandip Thakur, Ashutosh Giri

J. Chem. Phys. 162, 154501 (2025)

https://doi.org/10.1063/5.0252904

Published: April 2025

View articletitled, Impact of carbon dioxide loading on the thermal conductivity of metal organic frameworks

Journal Articles

Influence of quantum corrections on the predicted isobaric heat capacity of polarizable water models

Edoardo Savoia, Elton Oyarzua, B. D. Todd, Richard J. Sadus

J. Chem. Phys. 162, 144503 (2025)

https://doi.org/10.1063/5.0256589

Published: April 2025

View articletitled, Influence of quantum corrections on the predicted isobaric heat capacity of polarizable water models

Journal Articles

Silicon quantum dot-molecule hybrid systems and their applications

Kefu Wang, Ming Lee Tang

J. Chem. Phys. 162, 140901 (2025)

https://doi.org/10.1063/5.0249392

Published: April 2025

View articletitled, Silicon quantum dot-molecule hybrid systems and their applications

Journal Articles

Simulating many-body open quantum systems by harnessing the power of artificial intelligence and quantum computing

Lyuzhou Ye, Yao Wang, Xiao Zheng

J. Chem. Phys. 162, 120901 (2025)

https://doi.org/10.1063/5.0242648

Published: March 2025

View articletitled, Simulating many-body open quantum systems by harnessing the power of artificial intelligence and quantum computing

Journal Articles

Correlation between entropy fluctuations and the dielectric relaxation of glass-forming systems: The central role of dipolar–dipolar cross correlations

S. Arrese-Igor

J. Chem. Phys. 162, 114509 (2025)

https://doi.org/10.1063/5.0250974

Published: March 2025

View articletitled, Correlation between entropy fluctuations and the dielectric relaxation of glass-forming systems: The central role of dipolar–dipolar cross correlations

Journal Articles

A “hump” in the third-order dielectric response of a highly polar liquid: Now you see it, now you don’t

Erik Thoms, Ranko Richert

J. Chem. Phys. 162, 114501 (2025)

https://doi.org/10.1063/5.0248963

Published: March 2025

View articletitled, A “hump” in the third-order dielectric response of a highly polar liquid: Now you see it, now you don’t

Journal Articles

Rubber wear: Experiment and theory

B. N. J. Persson, R. Xu, N. Miyashita

J. Chem. Phys. 162, 074704 (2025)

https://doi.org/10.1063/5.0248199

Published: February 2025

View articletitled, Rubber wear: Experiment and theory

Journal Articles

Metaparticles: Computationally engineered nanomaterials with tunable and responsive properties

Massimiliano Paesani, Ioana M. Ilie

J. Chem. Phys. 161, 244905 (2024)

https://doi.org/10.1063/5.0232274

Published: December 2024

View articletitled, Metaparticles: Computationally engineered nanomaterials with tunable and responsive properties

Journal Articles

The impact of charge regulation and ionic intranuclear environment on the nucleosome core particle

Rikkert J. Nap, Paola Carillo Gonzalez, Aria E. Coraor, Ranya K. A. Virk, Juan J. de Pablo, Vadim Backman, Igal Szleifer

J. Chem. Phys. 161, 235101 (2024)

https://doi.org/10.1063/5.0241529

Published: December 2024

View articletitled, The impact of charge regulation and ionic intranuclear environment on the nucleosome core particle

Journal Articles

A theoretical study of thermal properties and structural evolution in binary carbonates phase change material: Machine learning-enhanced sampling strategy

Heqing Tian, Wenguang Zhang, Chaxiu Guo

J. Chem. Phys. 161, 144501 (2024)

https://doi.org/10.1063/5.0219401

Published: October 2024

View articletitled, A theoretical study of thermal properties and structural evolution in binary carbonates phase change material: Machine learning-enhanced sampling strategy

Journal Articles

The wetting of H₂O by CO₂

Samuel G. H. Brookes, Venkat Kapil, Christoph Schran, Angelos Michaelides

J. Chem. Phys. 161, 084711 (2024)

https://doi.org/10.1063/5.0224230

Published: August 2024

View articletitled, The wetting of H2O by CO2

Journal Articles

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Yair Litman, Venkat Kapil, Yotam M. Y. Feldman, Davide Tisi, Tomislav Begušić, Karen Fidanyan, Guillaume Fraux, Jacob Higer, Matthias Kellner, Tao E. Li, Eszter S. Pós, Elia Stocco, George Trenins, Barak Hirshberg, Mariana Rossi, Michele Ceriotti

J. Chem. Phys. 161, 062504 (2024)

https://doi.org/10.1063/5.0215869

Published: August 2024

View articletitled, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

Journal Articles

The interface between ice and alcohols analyzed by atomic force microscopy

Ryo Yanagisawa, Tadashi Ueda, Kei-ichi Nakamoto, Zhengxi Lu, Hiroshi Onishi, Taketoshi Minato

J. Chem. Phys. 161, 024702 (2024)

https://doi.org/10.1063/5.0211501

Published: July 2024

View articletitled, The interface between ice and alcohols analyzed by atomic force microscopy

Journal Articles

PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

S. Ahad, C. Lin, M. Reppert

J. Chem. Phys. 160, 154111 (2024)

https://doi.org/10.1063/5.0198443

Published: April 2024

View articletitled, PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

Includes: Supplementary data

Journal Articles

Coarse-grained modeling of DNA–RNA hybrids

Eryk J. Ratajczyk, Petr Šulc, Andrew J. Turberfield, Jonathan P. K. Doye, Ard A. Louis

J. Chem. Phys. 160, 115101 (2024)

https://doi.org/10.1063/5.0199558

Published: March 2024

View articletitled, Coarse-grained modeling of DNA–RNA hybrids

Includes: Supplementary data

Journal Articles

Deciphering the free energy landscapes of SARS-CoV-2 wild type and Omicron variant interacting with human ACE2

Pham Dang Lan, Daniel A. Nissley, Edward P. O’Brien, Toan T. Nguyen, Mai Suan Li

J. Chem. Phys. 160, 055101 (2024)

https://doi.org/10.1063/5.0188053

Published: February 2024

View articletitled, Deciphering the free energy landscapes of SARS-CoV-2 wild type and Omicron variant interacting with human ACE2

Includes: Supplementary data

Journal Articles

Bio-inspired synaptic behavior simulation in thin-film transistors based on molybdenum disulfide

Yufei Wang, Qi Yuan, Xinru Meng, Yanmei Sun

J. Chem. Phys. 159, 184702 (2023)

https://doi.org/10.1063/5.0174857

Published: November 2023

View articletitled, Bio-inspired synaptic behavior simulation in thin-film transistors based on molybdenum disulfide

Journal Articles

Rate enhancement of gated drift-diffusion process by optimal resetting

Arup Biswas, Arnab Pal, Debasish Mondal, Somrita Ray

J. Chem. Phys. 159, 054111 (2023)

https://doi.org/10.1063/5.0154210

Published: August 2023

View articletitled, Rate enhancement of gated drift-diffusion process by optimal resetting

Journal Articles

Improving photovoltaic performance of light-responsive double-heterojunction nanorod light-emitting diodes

Conan Huang, Yiran Jiang, Gryphon A. Drake, Logan P. Keating, Moonsub Shim

J. Chem. Phys. 158, 244701 (2023)

https://doi.org/10.1063/5.0147782

Published: June 2023

View articletitled, Improving photovoltaic performance of light-responsive double-heterojunction nanorod light-emitting diodes

Includes: Supplementary data

Update search

NARROW

Format

Collections

Topics

Subjects

Journal

Article Type

Issue Section

Date

Availability

Overcoming experimental obstacles in two-dimensional spectroscopy of a single molecule

Impact of carbon dioxide loading on the thermal conductivity of metal organic frameworks

Influence of quantum corrections on the predicted isobaric heat capacity of polarizable water models

Silicon quantum dot-molecule hybrid systems and their applications

Simulating many-body open quantum systems by harnessing the power of artificial intelligence and quantum computing

Correlation between entropy fluctuations and the dielectric relaxation of glass-forming systems: The central role of dipolar–dipolar cross correlations

A “hump” in the third-order dielectric response of a highly polar liquid: Now you see it, now you don’t

Rubber wear: Experiment and theory

Metaparticles: Computationally engineered nanomaterials with tunable and responsive properties

The impact of charge regulation and ionic intranuclear environment on the nucleosome core particle

A theoretical study of thermal properties and structural evolution in binary carbonates phase change material: Machine learning-enhanced sampling strategy

The wetting of H₂O by CO₂

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

The interface between ice and alcohols analyzed by atomic force microscopy

PigmentHunter: A point-and-click application for automated chlorophyll-protein simulations

Coarse-grained modeling of DNA–RNA hybrids

Deciphering the free energy landscapes of SARS-CoV-2 wild type and Omicron variant interacting with human ACE2

Bio-inspired synaptic behavior simulation in thin-film transistors based on molybdenum disulfide

Rate enhancement of gated drift-diffusion process by optimal resetting

Improving photovoltaic performance of light-responsive double-heterojunction nanorod light-emitting diodes

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

Update search

Resources

Explore

pubs.aip.org

Connect with AIP Publishing

This Feature Is Available To Subscribers Only