Classical empirical force fields have dominated biomolecular simulation for over 50 years.
Chemical Physics
Quantum computing hardware is advancing at a rapid pace, yet the lack of high-level programming abstractions remains a serious bottleneck in the development of new applications.
Quantum Physics Programming Languages
Quantum software tools for a wide variety of design tasks on and across different levels of abstraction are crucial in order to eventually realize useful quantum applications.
Quantum Physics Emerging Technologies
We study the Poincare polynomials of all known Calabi-Yau three-folds as constrained polynomials of Littlewood type, thus generalising the well-known investigation into the distribution of the Euler characteristic and Hodge numbers.
High Energy Physics - Theory
Here, we derive a method based on a dynamical process evolving on the temporal network.
Physics and Society Social and Information Networks Dynamical Systems Data Analysis, Statistics and Probability
Graph states are versatile resources for various quantum information processing tasks, including measurement-based quantum computing and quantum repeaters.
Quantum Physics
We present an open-source tensor network Python library for quantum many-body simulations.
Strongly Correlated Electrons Computational Physics Quantum Physics
Quantifying the impacts of anthropogenic global warming requires accurate Earth system model (ESM) simulations.
Geophysics
Most atomistic machine learning (ML) models rely on a locality ansatz, and decompose the energy into a sum of short-ranged, atom-centered contributions.
Chemical Physics
Applying quantum chemistry algorithms to large-scale systems requires substantial computational resources scaled with the system size and the desired accuracy.
Chemical Physics Computational Physics Quantum Physics