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based on the all-electron augmented plane wave method 2014-12-17 Paper Ab initio molecular simulations with numeric atom-centered orbitals 2010-10-28 Paper...

Type Global fit of ab initio potential energy surfaces. II. 1: Tetraatomic systems \(ABCD\) 2001-10-23 Paper Global fit of ab initio potential energy surfaces...

Type Global fit of ab initio potential energy surfaces. II. 1: Tetraatomic systems \(ABCD\) 2001-10-23 Paper Global fit of ab initio potential energy surfaces...

Type Global fit of ab initio potential energy surfaces. II. 1: Tetraatomic systems \(ABCD\) 2001-10-23 Paper Global fit of ab initio potential energy surfaces...

Publication Date of Publication Type An ab-initio framework for discovering high-temperature superconductors 2018-11-09 Paper Effect of resonator length...

Publication Date of Publication Type Ab initio molecular simulations with numeric atom-centered orbitals 2010-10-28 Paper Efficient \(O(N)\) integration...

nullspace algorithm for the computation of metabolic pathways 2011-11-22 Paper Ab initio quantum chemistry on a ccNUMA architecture using openMP. III 2000-08-21...

planar shock waves in gaseous mixtures based on ab initio direct simulation 2018-09-27 Paper \textit{ab initio} simulation of planar shock waves 2018-06-27...

Publication Date of Publication Type \textit{Ab initio} folding of peptides by the optimal-bias Monte Carlo minimization procedure 2000-11-19 Paper Derivation...

Publication Date of Publication Type \(Ab\) \(initio\) spectroscopic studies of non-rigid molecules: An application to acetic acid 2011-11-08 Paper On...

states leads to spin filtering effect in dsDNA molecules 2016-03-01 Paper Ab initio calculations of a new type of tubular carbon molecule based on multi-layered...

Publication Date of Publication Type Summation of parquet diagrams as an ab initio method in nuclear structure calculations 2011-08-19 Paper https://portal...

spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry 2016-11-10 Paper Eigenvalue-based determinants for scalar...

Publication Date of Publication Type An ab-initio framework for discovering high-temperature superconductors 2018-11-09 Paper Quasi-local action of curl-less...

problem 2004-11-23 Paper Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method 2003-07-30 Paper A two-dimensional bisection...

approximated by ab initio molecular dynamics 2019-07-11 Paper Canonical quantum observables for molecular systems approximated by ab initio molecular dynamics...

and ellipsoidal models for the Boltzmann equation and DSMC for \textit{ab initio}-based particle interactions 2021-04-20 Paper Drag and thermophoresis on...

image segmentation using distance regularization term 2016-07-06 Paper \(Ab\) \(initio\) molecular dynamics simulation of the atom packing and density of Al-Ni...

for peptide structure prediction: integrated hybrids 2010-10-18 Paper Ab initio tertiary structure prediction of proteins 2003-06-09 Paper https://portal...

the light front and the 3D image of the pion 2023-01-26 Paper \textit{ab initio} approach to the non-perturbative scalar Yukawa model 2016-09-26 Paper...