20 citations · 37 across the 7 of their papers we have counts for
7 papers
Mathematical crystal chemistry: A formal theory for crystal structure prediction by generalized disjunctive programming
Ryotaro Koshoji
Inorganic structural chemistry leads naturally to a theory for crystal structure prediction formalized by a generalized disjunctive programming (GDP), which is formulated using con…
Mathematical crystal chemistry II: Random search for ionic crystals and analysis on oxide crystals registered in ICSD
Ryotaro Koshoji
Mathematical crystal chemistry views crystal structures as the optimal solutions of mathematical optimization problem formalizing inorganic structural chemistry. This paper introdu…
Mathematical Crystal Chemistry
Ryotaro Koshoji, Taisuke Ozaki
Efficient heuristics have predicted many functional materials such as high-temperature superconducting hydrides, while inorganic structural chemistry explains why and how the cryst…
Prediction of quaternary hydrides based on densest ternary sphere packings
Ryotaro Koshoji, Masahiro Fukuda, Taisuke Ozaki
We exhaustively search quaternary metal hydrides based on the (13-2-1) and (13-3-1) structures that are the two of the putative densest ternary sphere packings in cubic systems [R.…
Diverse densest ternary sphere packings
Ryotaro Koshoji, Taisuke Ozaki
The exploration of the densest sphere packings is a fundamental problem in mathematics and a wide variety of sciences including materials science. We present our exhaustive computa…
Densest ternary sphere packings
Ryotaro Koshoji, Taisuke Ozaki
We present our exhaustive exploration of the densest ternary sphere packings (DTSPs) for 45 radius ratios and 237 kinds of compositions, which is a packing problem of three kinds o…
Densest binary sphere packings and phase diagram : revisited
Ryotaro Koshoji, Mitsuaki Kawamura, Masahiro Fukuda +1
We revisit the densest binary sphere packings (DBSP) under the periodic boundary conditions and present an updated phase diagram, including newly found 12 putative densest structur…