Tjerk P. Straatsma

Computational Alchemy

Tjerk P. Straatsma, J. Andrew McCammon · Annual Review of Physical Chemistry · 1992 · 439 citations

Natural Sciences, Chemistry, Computer Science +11

A Fast Scalable Implicit Solver for Nonlinear Time-Evolution Earthquake City Problem on Low-Ordered Unstructured Finite Elements with Artificial Intelligence and Transprecision Computing

Tsuyoshi Ichimura, Kohei Fujita, Takuma Yamaguchi et al. · 2018 · 44 citations

Computing, Computational Engineering, Computer Science +15

NWChem: Exploiting parallelism in molecular simulations

Tjerk P. Straatsma, Marios Philippopoulos, J. Andrew McCammon · Computer Physics Communications · 2000 · 40 citations

Natural Sciences, Chemistry, High-performance Computing +13

GronOR: Scalable and Accelerated Nonorthogonal Configuration Interaction for Molecular Fragment Wave Functions

Tjerk P. Straatsma, Ria Broer, Aitor Sánchez-Mansilla et al. · Journal of Chemical Theory and Computation · 2022 · 23 citations · Full text

Natural Sciences, Chemistry, High-performance Computing +14

On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments

Aitor Sánchez-Mansilla, Carmen Sousa, R. K. Kathir et al. · Physical Chemistry Chemical Physics · 2022 · 19 citations · Full text

Natural Sciences, Chemistry, Physics +17