PySAGES: flexible, advanced sampling methods accelerated with GPUs
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus et al.
Computational Physics papers — page 97
physics.comp-phBrowse archive
PINN for Dynamical Partial Differential Equations is Not Training Deeper Networks Rather Learning Advection and Time Variance
Siddharth RoutClosely estimating the entropy of sparse graph models
Edward D. LeeSubspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures
Sameer Khadatkar, Phani MotamarriA Fully Quantum-Mechanical Treatment for Kaolinite
Sam Shepherd, Gareth A. Tribello, David M. WilkinsWKB Across Caustics: The Screened-WKB Method
Oscar P. Bruno, Martin D. MaasBand unfolding with a general transformation matrix: from code implementation to interpretation of photoemission spectra
Oleg Rubel, Jean-Baptiste Moussy, Paul Foulquier et al.Physics informed neural network for charged particles surrounded by conductive boundaries
Fatemeh Hafezianzade, Morad Biagooi, SeyedEhsan Nedaaee OskoeeAn extended plane wave framework for the electronic structure calculations of twisted bilayer material systems
Xiaoying Dai, Aihui Zhou, Yuzhi ZhouThe antiferromagnetic phase transition in the layered Cu0.15Fe0.85PS3 semiconductor: experiment and DFT modelling
V. Pashchenko, O. Bludov, D. Baltrunas et al.Performance investigation of supercapacitors with PEO-based gel polymer & ionic liquid electrolytes: Molecular Dynamics Simulation
Nasrin Eyvazi, Davood Abbaszadeh, Morad Biagooi et al.Yade Documentation
Vaclav Smilauer, Vasileios Angelidakis, Emanuele Catalano et al.Genetic-tunneling driven energy optimizer for spin systems
Qichen Xu, Zhuanglin Shen, Manuel Pereiro et al.Origin of performance degradation in high-delithiation LixCoO2: insights from direct atomic simulations using global neural network potentials
Pan Zhang, Cheng Shang, Zhipan Liu et al.Novel Approach to Structural Relaxation of Materials in Optically Excited States
Mao Yang, Claudia DraxlNotes on the Fast Multipole Method
Yasuhiro KajimaTunable Quantum Anomalous Hall Effects in Ferromagnetic van der Waals Heterostructures
Feng Xue, Yusheng Hou, Zhe Wang et al.Ising Model Partition Function Computation as a Weighted Counting Problem
Shaan A. Nagy, Roger Paredes, Jeffrey M. Dudek et al.Numerical Evolution from the Hamiltonian
José M. L. Amoreira, Luís J. M. AmoreiraCombining Stochastic Parameterized Reduced-Order Models with Machine Learning for Data Assimilation and Uncertainty Quantification with Partial Observations
Changhong Mou, Leslie M. Smith, Nan ChenThe dissipative Generalized Hydrodynamic equations and their numerical solution
Frederik Møller, Nicolas Besse, Igor E. Mazets et al.Finite Element Methods for Linear Maxwell's Equations in Bianisotropic Media Permitting Polarization Fields and Magnetic Currents
Tharindu Fernando, Martin Licht, Michael HolstModeling Heat Conduction with Dual-Dissipative Variables: A Mechanism-Data Fusion Method
Leheng Chen, Chuang Zhang, Jin ZhaoAtomic, electronic, and superconducting properties of Zr2Ir compound
C. Tayran, M. ÇakmakNonlinear polarization effect of functionalized graphene quantum dots
Setianto, I Made Joni