Physics - Chemical Physics

Chemical PhysicsCore-Specialized Basis Sets in Quantum Chemistry

Learn how specialized basis sets enhance molecular property predictions.

Robbie T. Ireland, Laura K. McKemmish

2025-06-14T00:04:27+00:00 ― 7 min read

Chemical PhysicsThe Interaction of Hydrogen and Myoglobin

Research explores how hydrogen affects myoglobin and its potential health benefits.

Jiri Käser, Kai Töpfer, Markus Meuwly

2025-06-13T05:43:18+00:00 ― 4 min read

Chemical PhysicsNew Insights into Cobalt-Based Magnets

Research reveals new compounds for stronger, stable magnets using cobalt.

Lorenzo A. Mariano, Vu Ha Anh Nguyen, Valerio Briganti

2025-06-13T02:52:45+00:00 ― 4 min read

Chemical PhysicsAdvancements in Kohn-Sham Inversion Using MY Regularization

Research enhances potential calculation methods for material properties.

Michael F. Herbst, Vebjørn H. Bakkestuen, Andre Laestadius

2025-06-12T16:01:12+00:00 ― 5 min read

Chemical PhysicsNew Method Enhances Quantum Chemistry Models

Introducing MC-srPDFT to tackle challenges in quantum chemistry.

Frederik Kamper Jørgensen, Erik Rosendahl Kjellgren, Hans Jørgen Aagaard Jensen

2025-06-12T06:36:00+00:00 ― 5 min read

Chemical PhysicsAdvancements in Machine Learning for Molecular Liquids

Study reveals efficient data sharing in ML models for battery technology.

Samuel P. Niblett, Panagiotis Kourtis, Ioan-Bogdan Magdău

2025-06-11T14:38:18+00:00 ― 4 min read

Soft Condensed MatterProtein Solutions and Their Interactions

Examining protein behavior in solutions and its implications for science and medicine.

Furio Surfaro, Ralph Maier, Kai-Florian Pastryk

2025-06-11T06:55:09+00:00 ― 8 min read

Quantum PhysicsCavity Structures Enhance Energy Transport in Disordered Systems

New insights show cavities can improve energy movement in disordered materials.

Weijun Wu, Ava N. Hejazi, Gregory D. Scholes

2025-06-11T05:05:15+00:00 ― 7 min read

Atomic PhysicsInvestigating Nitrogen's Response to Strong Laser Pulses

Research sheds light on nitrogen's behavior under intense laser interactions.

Carlo Kleine, Marc-Oliver Winghart, Zhuang-Yan Zhang

2025-06-11T01:17:36+00:00 ― 5 min read

Materials ScienceAdvancements in Cellulose-Based Separators for Sodium-Ion Batteries

Cellulose paper separators enhance sodium-ion battery performance sustainably and cost-effectively.

Simranjot K. Sapra, Mononita Das, M. Wasim Raja

2025-06-11T01:09:45+00:00 ― 4 min read

Chemical PhysicsUnderstanding Diatomic Molecules Through Rovibrational Spectroscopy

A look into how energy levels of diatomic molecules are studied.

Raghav Sharma, Pragati Ashdhir, Amit Tanwar

2025-06-10T23:35:33+00:00 ― 5 min read

Atomic and Molecular ClustersInsights into Excited Argon Clusters Behavior

New methods provide clarity on excited states in argon clusters.

Mukul Dhiman, Benoit Gervais

2025-06-10T22:17:03+00:00 ― 3 min read

Machine LearningAdvancements in Molecular Tokenization with Smirk and Smirk-GPE

New tokenizers enhance molecular modeling by improving representation of chemical structures.

Alexius Wadell, Anoushka Bhutani, Venkatasubramanian Viswanathan

2025-06-10T08:30:06+00:00 ― 6 min read

Chemical PhysicsNew Methods for Finding Excited States in Quantum Mechanics

Innovative approaches improve the study of excited states in quantum systems.

Ke Liao

2025-06-10T07:45:42+00:00 ― 5 min read

Statistical MechanicsUnderstanding Liquid Behavior on Surfaces

Exploring how liquid droplets move on solid surfaces and the effects of temperature and friction.

Anna T. Bui, Stephen J. Cox

2025-06-10T04:05:54+00:00 ― 6 min read

Machine LearningAdvancing Molecular Discovery with Multi-Fidelity Bayesian Optimization

Optimizing chemical research using different data sources for faster results.

Edmund Judge, Mohammed Azzouzi, Austin M. Mroz

2025-06-10T00:41:48+00:00 ― 5 min read

Materials ScienceInvestigating Type-I Clathrates and Their Thermal Conductivity

An overview of type-I clathrates and their low thermal conductivity properties.

Dipti Jasrasaria, Timothy C. Berkelbach

2025-06-09T20:07:03+00:00 ― 6 min read

Quantum PhysicsStudying Anharmonic Vibrational Polaritons in Optical Cavities

Research into polaritons reveals insights into light and matter interactions.

Dipti Jasrasaria, Arkajit Mandal, David R. Reichman

2025-06-09T14:13:48+00:00 ― 5 min read

Applied PhysicsSilicon Nanowires: Enhancing Lithium-Ion Battery Performance

Investigating how elliptical silicon nanowires affect lithium-ion battery efficiency and stability.

Raphael Schoof, Lukas Köbbing, Arnulf Latz

2025-06-09T14:05:57+00:00 ― 5 min read

Chemical PhysicsInnovations in Sustainable Plastics: A Path Forward

Researchers are developing new, eco-friendly polymers to replace traditional plastics.

Joseph Kern, Yongliang Su, Will Gutekunst

2025-06-09T08:28:24+00:00 ― 6 min read

Chemical PhysicsPolaritonic Chemistry and Spin Glasses: A New Insight

Investigating light-matter interactions and their effects on chemical reactions.

Dominik Sidler, Michael Ruggenthaler, Angel Rubio

2025-06-09T02:03:45+00:00 ― 6 min read

Chemical PhysicsNew Insights into Energy Transfer in Gases

Research reveals how gas molecules transfer energy during high-temperature events.

Xiaorui Zhao, Xuefei Xu, Haitao Xu

2025-06-09T01:32:21+00:00 ― 5 min read

Chemical PhysicsInsights from the Finke-Watkzy Model in Chemistry and Disease

A look at the Finke-Watkzy model's impact on chemical reactions and disease spread.

Tomasz Bednarek, Jakub Jędrak

2025-06-09T00:21:42+00:00 ― 6 min read

Soft Condensed MatterImpurities' Role in Phase Transitions

Study reveals how impurities impact nucleation in materials.

Gadha Ramesh, Mantu Santra, Rakesh S. Singh

2025-06-08T21:36:51+00:00 ― 6 min read

Chemical PhysicsBenzonitrile's Role in Space Chemistry

Research reveals how benzonitrile contributes to complex molecule formation in space.

Nihar Ranjan Behera, Arun Kumar Kanakati, Pratikkumar Thakkar

2025-06-08T20:10:30+00:00 ― 5 min read

Soft Condensed MatterUnderstanding Liquid-Liquid Interfaces and Tension Measurements

A look into the properties of liquid-liquid interfaces and their importance.

Rei Ogawa, Hiroki Kusudo, Takeshi Omori

2025-06-08T08:55:24+00:00 ― 5 min read

Chemical PhysicsAdvancements in QM/MM Techniques with ESPF-DRF Method

A new method improves molecular interaction modeling using advanced charge representations.

Thomas P. Fay, Nicolas Ferré, Miquel Huix-Rotllant

2025-06-08T01:43:39+00:00 ― 7 min read

Chemical PhysicsInformed Stochastic Resetting: Speeding Up Molecular Dynamics Simulations

New technique significantly accelerates molecular dynamics simulations by optimizing reset conditions.

Jonathan R. Church, Ofir Blumer, Tommer D. Keidar

2025-06-07T20:53:12+00:00 ― 4 min read

Statistical MechanicsSmart Resetting: A New Approach to Particle Search

A method to enhance particle searches by minimizing energy costs and time.

Ofir Tal-Friedman, Tommer D. Keidar, Shlomi Reuveni

2025-06-07T20:37:30+00:00 ― 6 min read

Digital LibrariesMetal-Organic Frameworks: A Research Overview

A look into metal-organic frameworks and their growing significance in science.

Xintong Zhao, Kyle Langlois, Jacob Furst

2025-06-07T17:05:33+00:00 ― 4 min read

Chemical PhysicsAdvancements in Two-Photon Absorption Using Entangled Light

Researchers enhance imaging techniques via entangled two-photon absorption for delicate samples.

Sajal Kumar Giri, George C. Schatz

2025-06-07T11:35:51+00:00 ― 6 min read

Chemical PhysicsNew Approach to Electron Correlation Analysis

A unified method improves prediction of electron interactions in materials.

Aleksandra Tucholska, Yang Guo, Katarzyna Pernal

2025-06-07T10:09:30+00:00 ― 4 min read

Chemical PhysicsNew Method Predicts Hydrogen Electrode Potential Accurately

Researchers improve predictions of standard hydrogen electrode potential using machine learning.

Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse

2025-06-07T05:26:54+00:00 ― 5 min read

Chemical PhysicsAdvancements in Subsystem Density Functional Theory

A new approach simplifies calculations in molecular chemistry using Slater determinants.

Larissa Sophie Eitelhuber, Denis G. Artiukhin

2025-06-06T19:38:09+00:00 ― 5 min read

Astrophysics of GalaxiesNew Insights into Mutual Neutralization of Carbon Ions

Study reveals key reactions between carbon ions important for understanding space chemistry.

Michael Gatchell, Raka Paul, MingChao Ji

2025-06-06T18:43:12+00:00 ― 6 min read

Quantum PhysicsQuantum Devices Transforming Chemical Reactions

New quantum devices enhance the study of chemical dynamics and proton transfer.

Delmar G. A. Cabral, Pouya Khazaei, Brandon C. Allen

2025-06-06T13:29:12+00:00 ― 6 min read

Quantum PhysicsNew Insights into Quantum Tunneling with Kerr Oscillators

This study reveals new findings on tunneling processes in asymmetric double-well systems.

Alejandro Cros Carrillo de Albornoz, Rodrigo G. Cortiñas, Max Schäfer

2025-06-06T13:21:21+00:00 ― 6 min read

Chemical PhysicsAdvances in Spectroscopy: A New Method Revealed

A new technique allows detailed study of individual molecules without destruction.

Aaron Calvin, Merrell Brzeczek, Samuel Kresch

2025-06-06T10:36:30+00:00 ― 5 min read

Chemical PhysicsAdvancements in Polaritonic Chemistry

Researchers are studying how light interacts with heavy atoms to reveal new chemical behaviors.

Guillaume Thiam, Riccardo Rossi, Henrik Koch

2025-06-06T07:59:30+00:00 ― 5 min read

Machine LearningAdvancements in Molecular Generation Using Training-Free Guidance

Discover how training-free guidance is transforming molecular generation with discrete diffusion models.

Thomas J. Kerby, Kevin R. Moon

2025-06-06T03:10:48+00:00 ― 5 min read